(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide

C22H18ClNO2 — CID 1334364

IUPAC(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-19-13-11-18(12-14-19)24-22(25)20(16-7-3-2-4-8-16)15-17-9-5-6-10-21(17)23/h2-15H,1H3,(H,24,25)/b20-15+
InChIKeyHKYBAFQQQPVYJI-HMMYKYKNSA-N
MW363.84 g/mol
LogP5.53
Rot. Bonds5

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

(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 1334364) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID1334364
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-19-13-11-18(12-14-19)24-22(25)20(16-7-3-2-4-8-16)15-17-9-5-6-10-21(17)23/h2-15H,1H3,(H,24,25)/b20-15+
InChIKeyHKYBAFQQQPVYJI-HMMYKYKNSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.53
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

(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
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
N-(3-acetylphenyl)-3-(2-chlorophenyl)-2-phenylprop-2-enamide
CID 1320171
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(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
(Z)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylprop-2-enamide
CID 1290804
(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6518487
(E)-3-(2-chlorophenyl)-N-(2,6-diethylphenyl)-2-phenylprop-2-enamide
CID 126140872
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylprop-2-en-1-one
CID 1321834

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 1334364) is (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is HKYBAFQQQPVYJI-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-26-19-13-11-18(12-14-19)24-22(25)20(16-7-3-2-4-8-16)15-17-9-5-6-10-21(17)23/h2-15H,1H3,(H,24,25)/b20-15+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 363.84 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1334364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).