2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid

C12H10FN3O3 — CID 103510456

IUPAC2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
SMILESCn1cncc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C12H10FN3O3/c1-16-6-14-5-10(16)11(17)15-7-2-3-9(13)8(4-7)12(18)19/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyYCWAKNYZQHCRIQ-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.51
Rot. Bonds3

About 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid

2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid (PubChem CID 103510456) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
PubChem CID103510456
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
SMILESCn1cncc1C(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C12H10FN3O3/c1-16-6-14-5-10(16)11(17)15-7-2-3-9(13)8(4-7)12(18)19/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyYCWAKNYZQHCRIQ-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-difluoro-2-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510522
5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
5-[(3-methylimidazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 103510438
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-fluorobenzoic acid
CID 102810114
N-[4-amino-3-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510258
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
5-[(2-bromo-2-methylpropanoyl)amino]-2-fluorobenzoic acid
CID 114327952
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid (CID 103510456) is 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid is Cn1cncc1C(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid?
The InChIKey is YCWAKNYZQHCRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-16-6-14-5-10(16)11(17)15-7-2-3-9(13)8(4-7)12(18)19/h2-6H,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid?
2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid has a molecular weight of 263.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 103510456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).