5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

C14H12FNO4 — CID 61025078

IUPAC5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H12FNO4/c1-8-11(14(18)19)6-9(20-8)7-16-13(17)10-4-2-3-5-12(10)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXNJKHYLXKAMOOR-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.36
Rot. Bonds4

About 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid

5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61025078) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61025078
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)c2ccccc2F)cc1C(=O)O
InChIInChI=1S/C14H12FNO4/c1-8-11(14(18)19)6-9(20-8)7-16-13(17)10-4-2-3-5-12(10)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyXNJKHYLXKAMOOR-UHFFFAOYSA-N
XLogP2.36
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-fluorophenyl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024174
5-[[(3-fluoro-5-methylbenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 99637081
5-[[(2-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024294
5-[[(3-chloro-4-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 82873027
5-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226939
5-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024297
5-[[[2-(4-fluorophenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023784
5-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024303
5-[[(2,5-dibromobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 114367941
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
5-[[[2-(2,6-dimethylphenyl)acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120687190
2-methyl-5-[[(5-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 114818894

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid (CID 61025078) is 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)c2ccccc2F)cc1C(=O)O.
What is the InChIKey of 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is XNJKHYLXKAMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8-11(14(18)19)6-9(20-8)7-16-13(17)10-4-2-3-5-12(10)15/h2-6H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorobenzoyl)amino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61025078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).