N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide

C23H20ClNO2 — CID 39676655

IUPACN-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c24-20-13-11-17(12-14-20)21(26)15-16-22(27)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,27)
InChIKeyFKZSIQOOLVQXBQ-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.21
Rot. Bonds7

About N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide

N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide (PubChem CID 39676655) has the molecular formula C23H20ClNO2 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
PubChem CID39676655
Molecular FormulaC23H20ClNO2
Molecular Weight377.87 g/mol
Exact Mass377.12
IUPAC NameN-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20ClNO2/c24-20-13-11-17(12-14-20)21(26)15-16-22(27)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,27)
InChIKeyFKZSIQOOLVQXBQ-UHFFFAOYSA-N
XLogP5.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 108808855
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
2-chloro-N-[(S)-(4-chlorophenyl)-phenylmethyl]acetamide
CID 2466705
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 110306132
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 46829010
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
4-chloro-N-[2-[(4-oxo-4-phenylbutanoyl)amino]ethyl]benzamide
CID 134039930
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]hexanoic acid
CID 120614077
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
CID 108808181
4-(4-chlorophenyl)-N-(2-methylsulfanylphenyl)-4-oxobutanamide
CID 38168905

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide?
The IUPAC name of N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide (CID 39676655) is N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide?
The InChIKey is FKZSIQOOLVQXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2/c24-20-13-11-17(12-14-20)21(26)15-16-22(27)25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,23H,15-16H2,(H,25,27).
What are the key properties of N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide?
N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide has a molecular weight of 377.87 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 39676655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).