N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide

C23H20ClNO2 — CID 5038246

IUPACN-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1cccc(C=C(C(=O)NCc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO2/c1-27-21-9-5-6-18(14-21)15-22(19-7-3-2-4-8-19)23(26)25-16-17-10-12-20(24)13-11-17/h2-15H,16H2,1H3,(H,25,26)
InChIKeyJYOAMPMUECWWOQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.21
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide

N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 5038246) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID5038246
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1cccc(C=C(C(=O)NCc2ccc(Cl)cc2)c2ccccc2)c1
InChIInChI=1S/C23H20ClNO2/c1-27-21-9-5-6-18(14-21)15-22(19-7-3-2-4-8-19)23(26)25-16-17-10-12-20(24)13-11-17/h2-15H,16H2,1H3,(H,25,26)
InChIKeyJYOAMPMUECWWOQ-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.21
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

(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
CID 6523064
(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 33068115
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(2-chlorophenyl)methyl (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 2435461
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
(2-chloro-6-fluorophenyl)methyl 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 4291817

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide (CID 5038246) is N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide is COc1cccc(C=C(C(=O)NCc2ccc(Cl)cc2)c2ccccc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is JYOAMPMUECWWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c1-27-21-9-5-6-18(14-21)15-22(19-7-3-2-4-8-19)23(26)25-16-17-10-12-20(24)13-11-17/h2-15H,16H2,1H3,(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 377.87 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 5038246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).