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Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo-

An aromatic ketone, C10H11ClN2O2, 226.663 g/mol.

verified record, Organic — aromatic ketone

Identifiers

Molecular formula
C₁₀H₁₁ClN₂O₂
Molecular weight
226.663 g/mol
Exact mass
226.050905 g/mol
IUPAC name
N-(4-methoxyphenyl)-2-oxopropanehydrazonoyl chloride
SMILES
COc1ccc(NN=C(Cl)C(C)=O)cc1
InChI
InChI=1S/C10H11ClN2O2/c1-7(14)10(11)13-12-8-3-5-9(15-2)6-4-8/h3-6,12H,1-2H3
InChIKey
KOWHSCBROLKANJ-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
226.66 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
226.0509053 Dacalculated · reference compound database
Mass of the most common isotopic form.
XLogP3
3.3calculated · reference compound database
Estimated oil/water partition, computed by reference compound database.
Polar surface area
50.7 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
248calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
1calculated · reference compound database
H-bond acceptors
4calculated · reference compound database
logP
2.2484calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
50.69 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
1calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
4calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
4calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
60.5857 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
0.2calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.6329calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
15
Total atoms, hydrogen included
26
Rings
1
Aromatic rings
1
Stereocentres
0
Formal charge
0

Functional groups

  • Ketone

    A carbonyl bonded to two carbons.

  • Ether

    An oxygen bridging two carbons.

  • Halide (C–X)

    A halogen atom attached to carbon.

  • Aromatic ring

    A flat six-membered ring with delocalised electrons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo- yet.

Other names for it

The systematic name on this record is N-(4-methoxyphenyl)-2-oxopropanehydrazonoyl chloride.

The sources also call it N-(4-methoxyphenyl)-2-oxopropanehydrazonoyl chloride, Apixaban Impurity 225, SCHEMBL5168035, DTXSID60385825, KOWHSCBROLKANJ-UHFFFAOYSA-N, 1-chloro-1-[(4-methoxyphenyl) hydrazono]-2-propanone, 1-chloro-1-[(4-methoxyphenyl)hydrazono]-2-propanone.

Structurally related

Nothing structurally close to Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo- has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo-. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

(3,4-dichlorophenyl) N-(4-methoxyanilino)-2-oxopropanimidothioate

formed as a product

C₁₆H₁₄Cl₂N₂O₂S, 369.273 g/mol.

(4-propan-2-ylphenyl) N-(4-methoxyanilino)-2-oxopropanimidothioate

formed as a product

C₁₉H₂₂N₂O₂S, 342.464 g/mol.

(4-ethylphenyl) N-(4-methoxyanilino)-2-oxopropanimidothioate

formed as a product

C₁₈H₂₀N₂O₂S, 328.437 g/mol.

(3-methoxyphenyl) N-(4-methoxyanilino)-2-oxopropanimidothioate

formed as a product

C₁₇H₁₈N₂O₃S, 330.409 g/mol.

Where these values came from

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

Where to next

More molecules under P

The rest of this shelf, a hundred names at a time.

Molar mass calculator

Work with C10H11ClN2O2 in a calculation, with every element's contribution shown.

Molarity calculator

Grams of Propanehydrazonoyl chloride, N-(4-methoxyphenyl)-2-oxo- for a volume and a concentration, or the concentration a mass gives.

Open in ReactionLens

The full record in the workstation: every atom, every bond, and the reactions it appears in.