4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid

C13H11FN2O3 — CID 28741909

IUPAC4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCn1cccc1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-16-6-2-3-11(16)12(17)15-10-7-8(14)4-5-9(10)13(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyNZONTSVXGBJJRN-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.11
Rot. Bonds3

About 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid

4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid (PubChem CID 28741909) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
PubChem CID28741909
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
SMILESCn1cccc1C(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-16-6-2-3-11(16)12(17)15-10-7-8(14)4-5-9(10)13(18)19/h2-7H,1H3,(H,15,17)(H,18,19)
InChIKeyNZONTSVXGBJJRN-UHFFFAOYSA-N
XLogP2.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600
2-[(4-bromobenzoyl)amino]-4-fluorobenzoic acid
CID 24709582
2-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]-1H-pyrrole-3-carboxylic acid
CID 82880586
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
CID 172761884
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 56783381
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 62239394

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid (CID 28741909) is 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid is Cn1cccc1C(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid?
The InChIKey is NZONTSVXGBJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-16-6-2-3-11(16)12(17)15-10-7-8(14)4-5-9(10)13(18)19/h2-7H,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid?
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid has a molecular weight of 262.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 28741909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).