2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide

C22H17ClN2O — CID 93028108

IUPAC2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C(/C=C\c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H17ClN2O/c23-20-14-8-7-13-19(20)22(26)25-24-21(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16H,(H,25,26)/b16-15-,24-21-
InChIKeyOEMMMQBGLXHVJT-YYRRSDCCSA-N
MW360.84 g/mol
LogP5.19
Rot. Bonds5

About 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide

2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide (PubChem CID 93028108) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
PubChem CID93028108
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C(/C=C\c1ccccc1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C22H17ClN2O/c23-20-14-8-7-13-19(20)22(26)25-24-21(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16H,(H,25,26)/b16-15-,24-21-
InChIKeyOEMMMQBGLXHVJT-YYRRSDCCSA-N
XLogP5.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
N-[[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylacetamide
CID 129460869
N-(1,3-diphenylprop-2-enylideneamino)-1-methylpyrazole-3-carboxamide
CID 707960
N-[(E)-[(Z)-1,3-diphenylprop-2-enylidene]amino]-4-(propanoylamino)benzamide
CID 93028204
N'-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]-N-phenylbutanediamide
CID 6514335
4-(butanoylamino)-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3384778
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide (CID 93028108) is 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide is O=C(N/N=C(/C=C\c1ccccc1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide?
The InChIKey is OEMMMQBGLXHVJT-YYRRSDCCSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-20-14-8-7-13-19(20)22(26)25-24-21(18-11-5-2-6-12-18)16-15-17-9-3-1-4-10-17/h1-16H,(H,25,26)/b16-15-,24-21-.
What are the key properties of 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide?
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide has a molecular weight of 360.84 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 93028108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).