4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid

C18H14Cl2N2O4 — CID 9056533

IUPAC4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C18H14Cl2N2O4/c19-13-2-1-3-14(16(13)20)22-9-11(8-15(22)23)17(24)21-12-6-4-10(5-7-12)18(25)26/h1-7,11H,8-9H2,(H,21,24)(H,25,26)/t11-/m0/s1
InChIKeyNBEIHNULBJYMSE-NSHDSACASA-N
MW393.23 g/mol
LogP3.68
Rot. Bonds4

About 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid

4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (PubChem CID 9056533) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
PubChem CID9056533
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1
InChIInChI=1S/C18H14Cl2N2O4/c19-13-2-1-3-14(16(13)20)22-9-11(8-15(22)23)17(24)21-12-6-4-10(5-7-12)18(25)26/h1-7,11H,8-9H2,(H,21,24)(H,25,26)/t11-/m0/s1
InChIKeyNBEIHNULBJYMSE-NSHDSACASA-N
XLogP3.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529079
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529112
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid (CID 9056533) is 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1.
What is the InChIKey of 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
The InChIKey is NBEIHNULBJYMSE-NSHDSACASA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c19-13-2-1-3-14(16(13)20)22-9-11(8-15(22)23)17(24)21-12-6-4-10(5-7-12)18(25)26/h1-7,11H,8-9H2,(H,21,24)(H,25,26)/t11-/m0/s1.
What are the key properties of 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid?
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid has a molecular weight of 393.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 9056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).