N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide

C24H21ClN2O2 — CID 9046061

IUPACN-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C24H21ClN2O2/c25-20-14-13-19(16-21(20)27-15-7-12-22(27)28)24(29)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,23H,7,12,15H2,(H,26,29)
InChIKeyMLWDOEXXBCNAGP-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.99
Rot. Bonds5

About N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide

N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9046061) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9046061
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC NameN-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C24H21ClN2O2/c25-20-14-13-19(16-21(20)27-15-7-12-22(27)28)24(29)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,23H,7,12,15H2,(H,26,29)
InChIKeyMLWDOEXXBCNAGP-UHFFFAOYSA-N
XLogP4.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
methyl 3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 24516853
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9367033
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
4-chloro-N-[3-(N-methylanilino)-3-oxopropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 154773860
methyl (2S)-2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-4-methylsulfanylbutanoate
CID 9427181
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538
4-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18143926

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9046061) is N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is MLWDOEXXBCNAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c25-20-14-13-19(16-21(20)27-15-7-12-22(27)28)24(29)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,16,23H,7,12,15H2,(H,26,29).
What are the key properties of N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide?
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 404.90 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9046061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).