(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C23H20ClNO2 — CID 1321615

IUPAC(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2cccc(Cl)c2C)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO2/c1-16-21(24)9-6-10-22(16)25-23(26)20(18-7-4-3-5-8-18)15-17-11-13-19(27-2)14-12-17/h3-15H,1-2H3,(H,25,26)/b20-15+
InChIKeyYIYXQQQOCSSWMJ-HMMYKYKNSA-N
MW377.87 g/mol
LogP5.84
Rot. Bonds5

About (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 1321615) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID1321615
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC Name(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)Nc2cccc(Cl)c2C)c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO2/c1-16-21(24)9-6-10-22(16)25-23(26)20(18-7-4-3-5-8-18)15-17-11-13-19(27-2)14-12-17/h3-15H,1-2H3,(H,25,26)/b20-15+
InChIKeyYIYXQQQOCSSWMJ-HMMYKYKNSA-N
XLogP5.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.84
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

N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
ethyl 2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzoate
CID 1316307
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
(E)-3-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-2-phenylprop-2-enamide
CID 2175514
N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
CID 71951855
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 25304573
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
N'-(3-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585293

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 1321615) is (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)Nc2cccc(Cl)c2C)c2ccccc2)cc1.
What is the InChIKey of (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is YIYXQQQOCSSWMJ-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-16-21(24)9-6-10-22(16)25-23(26)20(18-7-4-3-5-8-18)15-17-11-13-19(27-2)14-12-17/h3-15H,1-2H3,(H,25,26)/b20-15+.
What are the key properties of (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 377.87 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1321615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).