2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide

C24H19ClN2O — CID 2227519

IUPAC2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
SMILESO=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H19ClN2O/c25-23-14-8-7-13-22(23)24(28)27-26-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-18H,(H,27,28)/b17-15+,18-16+
InChIKeyIZXQGXPHDPMBGQ-YTEMWHBBSA-N
MW386.88 g/mol
LogP5.85
Rot. Bonds6

About 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide

2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide (PubChem CID 2227519) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
PubChem CID2227519
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
SMILESO=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C24H19ClN2O/c25-23-14-8-7-13-22(23)24(28)27-26-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-18H,(H,27,28)/b17-15+,18-16+
InChIKeyIZXQGXPHDPMBGQ-YTEMWHBBSA-N
XLogP5.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.88
LogP ≤ 55.85
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

2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108
3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 92859984
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
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-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 155677993
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2-chloro-4-methyl-N-(6-phenylhexa-3,5-dien-2-ylideneamino)benzamide
CID 71952028
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide (CID 2227519) is 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide is O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The InChIKey is IZXQGXPHDPMBGQ-YTEMWHBBSA-N. The full InChI is InChI=1S/C24H19ClN2O/c25-23-14-8-7-13-22(23)24(28)27-26-21(17-15-19-9-3-1-4-10-19)18-16-20-11-5-2-6-12-20/h1-18H,(H,27,28)/b17-15+,18-16+.
What are the key properties of 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide has a molecular weight of 386.88 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide is sourced from PubChem (CID 2227519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).