(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide

C22H18ClNO — CID 6523064

IUPAC(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)16-24-22(25)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyDHZLSRWRADOKBD-RCCKNPSSSA-N
MW347.85 g/mol
LogP5.20
Rot. Bonds5

About (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide

(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide (PubChem CID 6523064) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
PubChem CID6523064
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide
SMILESO=C(NCc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)16-24-22(25)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b21-15+
InChIKeyDHZLSRWRADOKBD-RCCKNPSSSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 5038246
(E)-2,3-diphenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 889128
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25265745
(E)-3-(4-fluorophenyl)-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-2-phenylprop-2-enamide
CID 59475037
N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
(Z)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-diphenylprop-2-enamide
CID 19283657
(E)-3-(4-chlorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5466800
N-[3-(benzylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide
CID 2910041
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
N-[3-[(4-chlorophenyl)methylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 4521478
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide (CID 6523064) is (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide is O=C(NCc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide?
The InChIKey is DHZLSRWRADOKBD-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)16-24-22(25)21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H,16H2,(H,24,25)/b21-15+.
What are the key properties of (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide?
(E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide has a molecular weight of 347.85 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-chlorophenyl)methyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6523064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).