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

C13H15FN2O3 — CID 79389185

IUPAC2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCC1NCCC1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H15FN2O3/c1-7-8(5-6-15-7)12(17)16-10-4-2-3-9(14)11(10)13(18)19/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNRVWSHHBCGYXQW-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.46
Rot. Bonds3

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

2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 79389185) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID79389185
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCC1NCCC1C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H15FN2O3/c1-7-8(5-6-15-7)12(17)16-10-4-2-3-9(14)11(10)13(18)19/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyNRVWSHHBCGYXQW-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-(4-fluoro-2-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383629
N-(4-fluoro-2-iodophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79769596
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
2-fluoro-6-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462407

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid (CID 79389185) is 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid is CC1NCCC1C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is NRVWSHHBCGYXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-7-8(5-6-15-7)12(17)16-10-4-2-3-9(14)11(10)13(18)19/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 79389185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).