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

C13H9BrFNO4 — CID 107593473

IUPAC5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H9BrFNO4/c1-6-2-9(15)8(14)4-10(6)16-12(17)11-3-7(5-20-11)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyGMKXWHJBHHWBJW-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.44
Rot. Bonds3

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

5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 107593473) has the molecular formula C13H9BrFNO4 and a molecular weight of 342.12 g/mol. Its IUPAC name is 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID107593473
Molecular FormulaC13H9BrFNO4
Molecular Weight342.12 g/mol
Exact Mass340.97
IUPAC Name5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1cc(F)c(Br)cc1NC(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C13H9BrFNO4/c1-6-2-9(15)8(14)4-10(6)16-12(17)11-3-7(5-20-11)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyGMKXWHJBHHWBJW-UHFFFAOYSA-N
XLogP3.44
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108
N-(5-bromo-4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 103274678
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432385
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
N-(5-bromo-4-fluoro-2-methylphenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103278131
5-[(5-cyano-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607480
3-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107590868
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
N-(5-bromo-4-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 103274989
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid (CID 107593473) is 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is Cc1cc(F)c(Br)cc1NC(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is GMKXWHJBHHWBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4/c1-6-2-9(15)8(14)4-10(6)16-12(17)11-3-7(5-20-11)13(18)19/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 342.12 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 107593473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).