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

C14H13FN2O3 — CID 28791303

IUPAC2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)n1C
InChIInChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-11-5-4-9(15)7-10(11)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyGGWLMNIZFANEEO-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.42
Rot. Bonds3

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

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid (PubChem CID 28791303) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
PubChem CID28791303
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)n1C
InChIInChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-11-5-4-9(15)7-10(11)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20)
InChIKeyGGWLMNIZFANEEO-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

5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
4-bromo-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 60915841
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
CID 60698818
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28741909
4-bromo-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107812550
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid?
The IUPAC name of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid (CID 28791303) is 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid is Cc1ccc(C(=O)Nc2ccc(F)cc2C(=O)O)n1C.
What is the InChIKey of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid?
The InChIKey is GGWLMNIZFANEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8-3-6-12(17(8)2)13(18)16-11-5-4-9(15)7-10(11)14(19)20/h3-7H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid?
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-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 2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid is sourced from PubChem (CID 28791303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).