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

C14H13NO4 — CID 104607082

IUPAC5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2cc(C(=O)O)co2)cc1C
InChIInChI=1S/C14H13NO4/c1-8-3-4-11(5-9(8)2)15-13(16)12-6-10(7-19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyWPGOEZSMOTUQGJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.85
Rot. Bonds3

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

5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 104607082) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID104607082
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCc1ccc(NC(=O)c2cc(C(=O)O)co2)cc1C
InChIInChI=1S/C14H13NO4/c1-8-3-4-11(5-9(8)2)15-13(16)12-6-10(7-19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyWPGOEZSMOTUQGJ-UHFFFAOYSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-fluorophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607090
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
CID 107622770
5-[(2,6-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607109
5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
N-(3,4-dimethylphenyl)-4,5-dimethylfuran-2-carboxamide
CID 2988789
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
4-[(3,4-dimethylphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 15943706
5-[[3-(trifluoromethyl)phenyl]carbamoyl]furan-3-carboxylic acid
CID 104606992
5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607108

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid (CID 104607082) is 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid is Cc1ccc(NC(=O)c2cc(C(=O)O)co2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is WPGOEZSMOTUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-8-3-4-11(5-9(8)2)15-13(16)12-6-10(7-19-12)14(17)18/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 104607082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).