3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide

C23H20ClNO — CID 2915971

IUPAC3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO/c1-16-12-13-17(2)22(14-16)25-23(26)20(18-8-4-3-5-9-18)15-19-10-6-7-11-21(19)24/h3-15H,1-2H3,(H,25,26)
InChIKeyXXJMGUIEQGOIHI-UHFFFAOYSA-N
MW361.87 g/mol
LogP6.14
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide

3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide (PubChem CID 2915971) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
PubChem CID2915971
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO/c1-16-12-13-17(2)22(14-16)25-23(26)20(18-8-4-3-5-9-18)15-19-10-6-7-11-21(19)24/h3-15H,1-2H3,(H,25,26)
InChIKeyXXJMGUIEQGOIHI-UHFFFAOYSA-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

(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-3-(2-chlorophenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2-phenylprop-2-enamide
CID 38020071
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
N-[1-(2-chlorophenyl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1351912
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(E)-2-cyano-3-(2,6-dichlorophenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 698844
(E)-3-(2-chlorophenyl)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-phenylprop-2-enamide
CID 28589712

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide (CID 2915971) is 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide is Cc1ccc(C)c(NC(=O)C(=Cc2ccccc2Cl)c2ccccc2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide?
The InChIKey is XXJMGUIEQGOIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-16-12-13-17(2)22(14-16)25-23(26)20(18-8-4-3-5-9-18)15-19-10-6-7-11-21(19)24/h3-15H,1-2H3,(H,25,26).
What are the key properties of 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide?
3-(2-chlorophenyl)-N-(2,5-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 3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2915971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).