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

C13H10FNO4 — CID 103791548

IUPAC2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)o1
InChIInChI=1S/C13H10FNO4/c1-7-2-5-11(19-7)12(16)15-8-3-4-9(13(17)18)10(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKJJSZHSBTARVRP-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.68
Rot. Bonds3

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

2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid (PubChem CID 103791548) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
PubChem CID103791548
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)o1
InChIInChI=1S/C13H10FNO4/c1-7-2-5-11(19-7)12(16)15-8-3-4-9(13(17)18)10(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKJJSZHSBTARVRP-UHFFFAOYSA-N
XLogP2.68
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
3-[2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 77069448
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
2-fluoro-4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]benzoic acid
CID 103791438
2-fluoro-4-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 103867339
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042
4-bromo-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 54933050
2-fluoro-4-[3-(methylamino)propanoylamino]benzoic acid
CID 114002257
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
2-fluoro-4-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 103867338

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid (CID 103791548) is 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(F)c2)o1.
What is the InChIKey of 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
The InChIKey is KJJSZHSBTARVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-7-2-5-11(19-7)12(16)15-8-3-4-9(13(17)18)10(14)6-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid?
2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid has a molecular weight of 263.22 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-methylfuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 103791548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).