(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide

C16H15ClN2O — CID 28867709

IUPAC(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H15ClN2O/c1-11-2-8-15(14(18)10-11)19-16(20)9-5-12-3-6-13(17)7-4-12/h2-10H,18H2,1H3,(H,19,20)/b9-5+
InChIKeyJVLUGQQVTRQCEH-WEVVVXLNSA-N
MW286.76 g/mol
LogP3.88
Rot. Bonds3

About (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 28867709) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID28867709
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(N)c1
InChIInChI=1S/C16H15ClN2O/c1-11-2-8-15(14(18)10-11)19-16(20)9-5-12-3-6-13(17)7-4-12/h2-10H,18H2,1H3,(H,19,20)/b9-5+
InChIKeyJVLUGQQVTRQCEH-WEVVVXLNSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-(3-amino-4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 39423073
(E)-3-(4-chlorophenyl)-N-[(2-hydroxy-4-methylphenyl)carbamothioyl]prop-2-enamide
CID 884929
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-3-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)prop-2-enamide
CID 82757480
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-3-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2177723

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide (CID 28867709) is (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)c(N)c1.
What is the InChIKey of (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is JVLUGQQVTRQCEH-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-11-2-8-15(14(18)10-11)19-16(20)9-5-12-3-6-13(17)7-4-12/h2-10H,18H2,1H3,(H,19,20)/b9-5+.
What are the key properties of (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 286.76 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 28867709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).