2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

C12H11FN2O4 — CID 83192341

IUPAC2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2cccc(F)c2C(=O)O)CN1
InChIInChI=1S/C12H11FN2O4/c13-7-2-1-3-8(10(7)12(18)19)15-11(17)6-4-9(16)14-5-6/h1-3,6H,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHUFJKLHEQFQSJQ-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.60
Rot. Bonds3

About 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid

2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 83192341) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID83192341
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C1CC(C(=O)Nc2cccc(F)c2C(=O)O)CN1
InChIInChI=1S/C12H11FN2O4/c13-7-2-1-3-8(10(7)12(18)19)15-11(17)6-4-9(16)14-5-6/h1-3,6H,4-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyHUFJKLHEQFQSJQ-UHFFFAOYSA-N
XLogP0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[(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

2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
2-fluoro-6-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63663402
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83192750
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982441
N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982095

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid (CID 83192341) is 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is O=C1CC(C(=O)Nc2cccc(F)c2C(=O)O)CN1.
What is the InChIKey of 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is HUFJKLHEQFQSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-7-2-1-3-8(10(7)12(18)19)15-11(17)6-4-9(16)14-5-6/h1-3,6H,4-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid?
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 266.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 83192341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).