(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide

C23H20ClNO — CID 2175514

IUPAC(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C
InChIInChI=1S/C23H20ClNO/c1-16-9-8-14-22(17(16)2)25-23(26)20(18-10-4-3-5-11-18)15-19-12-6-7-13-21(19)24/h3-15H,1-2H3,(H,25,26)/b20-15+
InChIKeyXAIQJKXGBMPIMN-HMMYKYKNSA-N
MW361.87 g/mol
LogP6.14
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide (PubChem CID 2175514) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
PubChem CID2175514
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C
InChIInChI=1S/C23H20ClNO/c1-16-9-8-14-22(17(16)2)25-23(26)20(18-10-4-3-5-11-18)15-19-12-6-7-13-21(19)24/h3-15H,1-2H3,(H,25,26)/b20-15+
InChIKeyXAIQJKXGBMPIMN-HMMYKYKNSA-N
XLogP6.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712
N-[1-(2-chlorophenyl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1351912
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
2-[[(E)-3-(2-chlorophenyl)-2-phenylprop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 126135724
(E)-3-(2-chlorophenyl)-N-[(2S)-3-methylbutan-2-yl]-2-phenylprop-2-enamide
CID 100561841
3-(2-chlorophenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 4796926
(Z)-N-(2-methyl-3-nitrophenyl)-2,3-diphenylprop-2-enamide
CID 2190509
(E)-3-(2-chlorophenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2-phenylprop-2-enamide
CID 38020071

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide (CID 2175514) is (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide is Cc1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide?
The InChIKey is XAIQJKXGBMPIMN-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-16-9-8-14-22(17(16)2)25-23(26)20(18-10-4-3-5-11-18)15-19-12-6-7-13-21(19)24/h3-15H,1-2H3,(H,25,26)/b20-15+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide has a molecular weight of 361.87 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2175514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).