N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C12H12ClN3O3 — CID 78954339

IUPACN-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C12H12ClN3O3/c13-8-2-1-6(11(14)18)3-9(8)16-12(19)7-4-10(17)15-5-7/h1-3,7H,4-5H2,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyZHXQLAPCJQVZFM-UHFFFAOYSA-N
MW281.70 g/mol
LogP0.51
Rot. Bonds3

About N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78954339) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78954339
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC NameN-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)c1ccc(Cl)c(NC(=O)C2CNC(=O)C2)c1
InChIInChI=1S/C12H12ClN3O3/c13-8-2-1-6(11(14)18)3-9(8)16-12(19)7-4-10(17)15-5-7/h1-3,7H,4-5H2,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyZHXQLAPCJQVZFM-UHFFFAOYSA-N
XLogP0.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981850
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
CID 79511251
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
5-oxo-N-(2,4,6-trichlorophenyl)pyrrolidine-3-carboxamide
CID 83192640
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
3-(carbamothioylamino)-4-chlorobenzamide
CID 86665570
3-chloro-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192367
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 78954339) is N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)c1ccc(Cl)c(NC(=O)C2CNC(=O)C2)c1.
What is the InChIKey of N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHXQLAPCJQVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-8-2-1-6(11(14)18)3-9(8)16-12(19)7-4-10(17)15-5-7/h1-3,7H,4-5H2,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78954339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).