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

C24H19ClN2O — CID 92859984

IUPAC3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
SMILESO=C(N/N=C(/C=C\c1ccccc1)\C=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C24H19ClN2O/c25-22-13-7-12-21(18-22)24(28)27-26-23(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-18H,(H,27,28)/b16-14-,17-15+,26-23-
InChIKeyULFFJSMVVAOPDR-WVWRDYBMSA-N
MW386.88 g/mol
LogP5.85
Rot. Bonds6

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

3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide (PubChem CID 92859984) has the molecular formula C24H19ClN2O and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
PubChem CID92859984
Molecular FormulaC24H19ClN2O
Molecular Weight386.88 g/mol
Exact Mass386.12
IUPAC Name3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
SMILESO=C(N/N=C(/C=C\c1ccccc1)\C=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C24H19ClN2O/c25-22-13-7-12-21(18-22)24(28)27-26-23(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-18H,(H,27,28)/b16-14-,17-15+,26-23-
InChIKeyULFFJSMVVAOPDR-WVWRDYBMSA-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

3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
2-chloro-N-[[(1E,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide
CID 2227519
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
3-chloro-N-(1,3-dichloropropan-2-ylideneamino)benzamide
CID 46741785
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3-chloro-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]benzamide
CID 108559869
2-chloro-N-[(Z)-[(Z)-1,3-diphenylprop-2-enylidene]amino]benzamide
CID 93028108
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The IUPAC name of 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide (CID 92859984) is 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide.
What is the SMILES notation for 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The canonical SMILES for 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide is O=C(N/N=C(/C=C\c1ccccc1)\C=C\c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
The InChIKey is ULFFJSMVVAOPDR-WVWRDYBMSA-N. The full InChI is InChI=1S/C24H19ClN2O/c25-22-13-7-12-21(18-22)24(28)27-26-23(16-14-19-8-3-1-4-9-19)17-15-20-10-5-2-6-11-20/h1-18H,(H,27,28)/b16-14-,17-15+,26-23-.
What are the key properties of 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide?
3-chloro-N-[[(1Z,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 3-chloro-N-[[(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-ylidene]amino]benzamide is sourced from PubChem (CID 92859984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).