1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C13H13ClN2O3 — CID 168696136

IUPAC1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C13H13ClN2O3/c1-7(17)8-2-3-10(14)11(4-8)16-6-9(13(15)19)5-12(16)18/h2-4,9H,5-6H2,1H3,(H2,15,19)
InChIKeyOGZICZXQHFMCJI-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.38
Rot. Bonds3

About 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696136) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168696136
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(Cl)c(N2CC(C(N)=O)CC2=O)c1
InChIInChI=1S/C13H13ClN2O3/c1-7(17)8-2-3-10(14)11(4-8)16-6-9(13(15)19)5-12(16)18/h2-4,9H,5-6H2,1H3,(H2,15,19)
InChIKeyOGZICZXQHFMCJI-UHFFFAOYSA-N
XLogP1.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-acetyl-2-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662051
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylbenzoic acid
CID 168696830
ethyl (3R)-1-(2-chloro-5-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94076078
1-(5-carbamoyl-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50873701
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
(3S)-1-(4-chloro-2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94075985
1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168696136) is 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1ccc(Cl)c(N2CC(C(N)=O)CC2=O)c1.
What is the InChIKey of 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OGZICZXQHFMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-7(17)8-2-3-10(14)11(4-8)16-6-9(13(15)19)5-12(16)18/h2-4,9H,5-6H2,1H3,(H2,15,19).
What are the key properties of 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).