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

C13H10FNO4 — CID 114818783

IUPAC5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)co1
InChIInChI=1S/C13H10FNO4/c1-7-4-8(6-19-7)12(16)15-11-3-2-9(14)5-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBKPJMPROVHEJBQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.68
Rot. Bonds3

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

5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid (PubChem CID 114818783) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
PubChem CID114818783
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)co1
InChIInChI=1S/C13H10FNO4/c1-7-4-8(6-19-7)12(16)15-11-3-2-9(14)5-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyBKPJMPROVHEJBQ-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

5-hydroxy-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818932
N-(2-bromo-4-fluorophenyl)-5-methylfuran-3-carboxamide
CID 114820853
5-fluoro-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 28779501
5-fluoro-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 24690411
2-[(3-chloro-5-methylbenzoyl)amino]-5-fluorobenzoic acid
CID 81314313
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-5-methylfuran-3-carboxamide
CID 114822142
2-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
2-hydroxy-4-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818768
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
methyl 5-methyl-2-[(5-methylfuran-3-carbonyl)amino]benzoate
CID 114822092
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid (CID 114818783) is 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2ccc(F)cc2C(=O)O)co1.
What is the InChIKey of 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
The InChIKey is BKPJMPROVHEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-7-4-8(6-19-7)12(16)15-11-3-2-9(14)5-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid?
5-fluoro-2-[(5-methylfuran-3-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 5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 114818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).