2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid

C15H19FN2O3 — CID 107795125

IUPAC2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCCCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCN1
InChIInChI=1S/C15H19FN2O3/c1-2-6-15(7-3-8-17-15)14(21)18-10-4-5-11(13(19)20)12(16)9-10/h4-5,9,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyIDHNJNBSGJTFCR-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.38
Rot. Bonds5

About 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid

2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 107795125) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID107795125
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCCCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCN1
InChIInChI=1S/C15H19FN2O3/c1-2-6-15(7-3-8-17-15)14(21)18-10-4-5-11(13(19)20)12(16)9-10/h4-5,9,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyIDHNJNBSGJTFCR-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-4-[(2-propylpyrrolidine-2-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

N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(3-chloro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973980
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
4-[(1-ethylcyclopentanecarbonyl)amino]-2-fluorobenzoic acid
CID 103925771
N-[3-(difluoromethoxy)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974400
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
N-(4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974156
N-(3-methylsulfonylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974512
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid (CID 107795125) is 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid is CCCC1(C(=O)Nc2ccc(C(=O)O)c(F)c2)CCCN1.
What is the InChIKey of 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is IDHNJNBSGJTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-6-15(7-3-8-17-15)14(21)18-10-4-5-11(13(19)20)12(16)9-10/h4-5,9,17H,2-3,6-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid?
2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107795125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).