N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide

C23H18ClNO2 — CID 1320171

IUPACN-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H18ClNO2/c1-16(26)18-11-7-12-20(14-18)25-23(27)21(17-8-3-2-4-9-17)15-19-10-5-6-13-22(19)24/h2-15H,1H3,(H,25,27)
InChIKeyRTJKPQSFTMDEPV-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.72
Rot. Bonds5

About N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide

N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide (PubChem CID 1320171) has the molecular formula C23H18ClNO2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
PubChem CID1320171
Molecular FormulaC23H18ClNO2
Molecular Weight375.86 g/mol
Exact Mass375.10
IUPAC NameN-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
SMILESCC(=O)c1cccc(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H18ClNO2/c1-16(26)18-11-7-12-20(14-18)25-23(27)21(17-8-3-2-4-9-17)15-19-10-5-6-13-22(19)24/h2-15H,1H3,(H,25,27)
InChIKeyRTJKPQSFTMDEPV-UHFFFAOYSA-N
XLogP5.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
N-(3-acetylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108515059
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6518487
N'-[3-[[3-(2-methoxyphenyl)-2-phenylprop-2-enoyl]amino]phenyl]oxamide
CID 126797593

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide (CID 1320171) is N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide is CC(=O)c1cccc(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
The InChIKey is RTJKPQSFTMDEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2/c1-16(26)18-11-7-12-20(14-18)25-23(27)21(17-8-3-2-4-9-17)15-19-10-5-6-13-22(19)24/h2-15H,1H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide?
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide has a molecular weight of 375.86 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1320171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).