5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid

C13H10FNO4 — CID 104607108

IUPAC5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H10FNO4/c1-7-4-9(14)2-3-10(7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFQFJXWYBOACNIT-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.68
Rot. Bonds3

About 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid

5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607108) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607108
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1cc(F)ccc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H10FNO4/c1-7-4-9(14)2-3-10(7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyFQFJXWYBOACNIT-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-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 107593473
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-fluoro-2-[(5-methylfuran-3-carbonyl)amino]benzoic acid
CID 114818783
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607108) is 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is Cc1cc(F)ccc1NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is FQFJXWYBOACNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c1-7-4-9(14)2-3-10(7)15-12(16)11-5-8(6-19-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic 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-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).