3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

C13H11FN2O3 — CID 113483076

IUPAC3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccccc2F)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11FN2O3/c1-7-6-10(11(15-7)13(18)19)16-12(17)8-4-2-3-5-9(8)14/h2-6,15H,1H3,(H,16,17)(H,18,19)
InChIKeySSLABIWPUVGQCI-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.41
Rot. Bonds3

About 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid

3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (PubChem CID 113483076) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
PubChem CID113483076
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccccc2F)c(C(=O)O)[nH]1
InChIInChI=1S/C13H11FN2O3/c1-7-6-10(11(15-7)13(18)19)16-12(17)8-4-2-3-5-9(8)14/h2-6,15H,1H3,(H,16,17)(H,18,19)
InChIKeySSLABIWPUVGQCI-UHFFFAOYSA-N
XLogP2.41
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-2-hydroxybenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid
CID 107013823
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
5-methyl-3-[(5-methylpyrazine-2-carbonyl)amino]-1H-pyrrole-2-carboxylic acid
CID 113483074
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid (CID 113483076) is 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is Cc1cc(NC(=O)c2ccccc2F)c(C(=O)O)[nH]1.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is SSLABIWPUVGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-7-6-10(11(15-7)13(18)19)16-12(17)8-4-2-3-5-9(8)14/h2-6,15H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid?
3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-5-methyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 113483076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).