5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid

C14H13FN2O3 — CID 60750145

IUPAC5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)n1C
InChIInChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-9-4-5-11(15)10(7-9)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyQEFZYKWBPFHCQY-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.42
Rot. Bonds3

About 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid

5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid (PubChem CID 60750145) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
PubChem CID60750145
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)n1C
InChIInChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-9-4-5-11(15)10(7-9)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyQEFZYKWBPFHCQY-UHFFFAOYSA-N
XLogP2.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510456
2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28790887
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323
4-bromo-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 60915841
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
2-fluoro-5-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 54920900

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid (CID 60750145) is 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid is Cc1ccc(C(=O)Nc2ccc(F)c(C(=O)O)c2)n1C.
What is the InChIKey of 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid?
The InChIKey is QEFZYKWBPFHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-9-4-5-11(15)10(7-9)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid?
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid is sourced from PubChem (CID 60750145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).