4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide

C19H19ClN2O2 — CID 9032786

IUPAC4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-6-3-2-4-7-14)21-19(24)15-9-10-16(20)17(12-15)22-11-5-8-18(22)23/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyFOCOSORNJFJWHG-ZDUSSCGKSA-N
MW342.83 g/mol
LogP3.96
Rot. Bonds4

About 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide

4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 9032786) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID9032786
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-13(14-6-3-2-4-7-14)21-19(24)15-9-10-16(20)17(12-15)22-11-5-8-18(22)23/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyFOCOSORNJFJWHG-ZDUSSCGKSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256
methyl 3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 24516853
2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 154859724
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
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
propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 31864541
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide (CID 9032786) is 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is FOCOSORNJFJWHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(14-6-3-2-4-7-14)21-19(24)15-9-10-16(20)17(12-15)22-11-5-8-18(22)23/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide?
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 9032786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).