5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid

C12H8FNO4 — CID 104607090

IUPAC5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO4/c13-8-1-3-9(4-2-8)14-11(15)10-5-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyBSLYKIOZDQCMKX-UHFFFAOYSA-N
MW249.20 g/mol
LogP2.37
Rot. Bonds3

About 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid

5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607090) has the molecular formula C12H8FNO4 and a molecular weight of 249.20 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607090
Molecular FormulaC12H8FNO4
Molecular Weight249.20 g/mol
Exact Mass249.04
IUPAC Name5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C12H8FNO4/c13-8-1-3-9(4-2-8)14-11(15)10-5-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyBSLYKIOZDQCMKX-UHFFFAOYSA-N
XLogP2.37
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607017
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
5-[[4-(6-methylpyridazin-3-yl)oxyphenyl]carbamoyl]furan-3-carboxylic acid
CID 138043271
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid (CID 104607090) is 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is BSLYKIOZDQCMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO4/c13-8-1-3-9(4-2-8)14-11(15)10-5-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid?
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).