(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C12H13ClN2O2 — CID 42579933

IUPAC(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-12(17)10-4-5-11(16)14-10/h2-3,6,10H,4-5H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyXDCNCGUHLWFRFB-JTQLQIEISA-N
MW252.70 g/mol
LogP1.87
Rot. Bonds2

About (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 42579933) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID42579933
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-12(17)10-4-5-11(16)14-10/h2-3,6,10H,4-5H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyXDCNCGUHLWFRFB-JTQLQIEISA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 42579933) is (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XDCNCGUHLWFRFB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7-6-8(13)2-3-9(7)15-12(17)10-4-5-11(16)14-10/h2-3,6,10H,4-5H2,1H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 252.70 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42579933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).