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

C22H18ClNO2 — CID 1316043

IUPAC(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-20-13-7-16(8-14-20)15-21(17-5-3-2-4-6-17)22(25)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H,24,25)/b21-15-
InChIKeyWMTKMWCOBBVIPU-QNGOZBTKSA-N
MW363.84 g/mol
LogP5.53
Rot. Bonds5

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

(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 1316043) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID1316043
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(\C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1
InChIInChI=1S/C22H18ClNO2/c1-26-20-13-7-16(8-14-20)15-21(17-5-3-2-4-6-17)22(25)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H,24,25)/b21-15-
InChIKeyWMTKMWCOBBVIPU-QNGOZBTKSA-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-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
N-(2-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2912906
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321615
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458
(E)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 126180329
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 1316043) is (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(\C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is WMTKMWCOBBVIPU-QNGOZBTKSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-26-20-13-7-16(8-14-20)15-21(17-5-3-2-4-6-17)22(25)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H,24,25)/b21-15-.
What are the key properties of (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(Z)-N-(4-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 (Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 1316043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).