5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid

C12H8ClNO4 — CID 113432211

IUPAC5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H8ClNO4/c13-8-2-1-3-9(5-8)14-11(15)10-4-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyOZYNTNZAUMNWFP-UHFFFAOYSA-N
MW265.65 g/mol
LogP2.88
Rot. Bonds3

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

5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 113432211) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID113432211
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C12H8ClNO4/c13-8-2-1-3-9(5-8)14-11(15)10-4-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKeyOZYNTNZAUMNWFP-UHFFFAOYSA-N
XLogP2.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607089
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
5-[(4-carbamoylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607017
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[(2-bromo-5-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432385
5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
2,3,4,5-tetrachloro-6-[(3-chlorophenyl)carbamoyl]benzoic acid
CID 5211269
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
5-(benzamidomethyl)-N-(3-chlorophenyl)furan-2-carboxamide
CID 22587861
5-[(5-bromo-2-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607536
5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 106704067

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid (CID 113432211) is 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is OZYNTNZAUMNWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c13-8-2-1-3-9(5-8)14-11(15)10-4-7(6-18-10)12(16)17/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid?
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 265.65 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).