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

C22H18ClNO2 — CID 2912906

IUPACN-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)Nc2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-18-13-11-16(12-14-18)15-19(17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25)
InChIKeyBXVUYNIHPHQLPF-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.53
Rot. Bonds5

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

N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 2912906) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID2912906
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC NameN-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(C=C(C(=O)Nc2ccccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-18-13-11-16(12-14-18)15-19(17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25)
InChIKeyBXVUYNIHPHQLPF-UHFFFAOYSA-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

(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
(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
N,N-diethyl-2-[[3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]benzamide
CID 71951855
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
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
N-[(2-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920789

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 2912906) is N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(C=C(C(=O)Nc2ccccc2Cl)c2ccccc2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is BXVUYNIHPHQLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-26-18-13-11-16(12-14-18)15-19(17-7-3-2-4-8-17)22(25)24-21-10-6-5-9-20(21)23/h2-15H,1H3,(H,24,25).
What are the key properties of N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
N-(2-chlorophenyl)-3-(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 N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 2912906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).