(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide

C23H20ClNO — CID 43915668

IUPAC(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO/c1-17-7-12-20(13-8-17)23(19-5-3-2-4-6-19)25-22(26)16-11-18-9-14-21(24)15-10-18/h2-16,23H,1H3,(H,25,26)/b16-11+
InChIKeyDYAXJMVXXSKISA-LFIBNONCSA-N
MW361.87 g/mol
LogP5.57
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide (PubChem CID 43915668) has the molecular formula C23H20ClNO and a molecular weight of 361.87 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
PubChem CID43915668
Molecular FormulaC23H20ClNO
Molecular Weight361.87 g/mol
Exact Mass361.12
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide
SMILESCc1ccc(C(NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO/c1-17-7-12-20(13-8-17)23(19-5-3-2-4-6-19)25-22(26)16-11-18-9-14-21(24)15-10-18/h2-16,23H,1H3,(H,25,26)/b16-11+
InChIKeyDYAXJMVXXSKISA-LFIBNONCSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947102
(E)-N-[(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 132760659
(E)-N-[(R)-(4-methylphenyl)-phenylmethyl]-3-phenylprop-2-enamide
CID 99947103
(E)-3-(4-methylphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 898567
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoic acid
CID 19176841
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
(Z)-3-(4-methylphenyl)-N-propan-2-ylprop-2-enamide
CID 92898615
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 7899703
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
(E)-3-(4-tert-butylphenyl)-N-[(2-methylphenyl)-phenylmethyl]prop-2-enamide
CID 43904270

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide (CID 43915668) is (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide is Cc1ccc(C(NC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide?
The InChIKey is DYAXJMVXXSKISA-LFIBNONCSA-N. The full InChI is InChI=1S/C23H20ClNO/c1-17-7-12-20(13-8-17)23(19-5-3-2-4-6-19)25-22(26)16-11-18-9-14-21(24)15-10-18/h2-16,23H,1H3,(H,25,26)/b16-11+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide has a molecular weight of 361.87 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(4-methylphenyl)-phenylmethyl]prop-2-enamide is sourced from PubChem (CID 43915668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).