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

C13H10ClNO5 — CID 107622770

IUPAC5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2cc(C(=O)O)co2)ccc1Cl
InChIInChI=1S/C13H10ClNO5/c1-19-10-5-8(2-3-9(10)14)15-12(16)11-4-7(6-20-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyMBTNDLGASTULKG-UHFFFAOYSA-N
MW295.68 g/mol
LogP2.89
Rot. Bonds4

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

5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 107622770) has the molecular formula C13H10ClNO5 and a molecular weight of 295.68 g/mol. Its IUPAC name is 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
PubChem CID107622770
Molecular FormulaC13H10ClNO5
Molecular Weight295.68 g/mol
Exact Mass295.02
IUPAC Name5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid
SMILESCOc1cc(NC(=O)c2cc(C(=O)O)co2)ccc1Cl
InChIInChI=1S/C13H10ClNO5/c1-19-10-5-8(2-3-9(10)14)15-12(16)11-4-7(6-20-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyMBTNDLGASTULKG-UHFFFAOYSA-N
XLogP2.89
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloro-3-methoxyphenyl)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-[(3,4-dimethylphenyl)carbamoyl]furan-3-carboxylic acid
CID 104607082
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
N-(4-chloro-3-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 99842279
N-(4-chloro-3-methoxyphenyl)-4-(methylamino)benzamide
CID 107623041
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
5-[(4-chloro-3-methoxyphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 107622764
4-bromo-N-(4-chloro-3-methoxyphenyl)benzamide
CID 107271772
5-[(2-chloro-5-methylphenyl)carbamoyl]furan-3-carboxylic acid
CID 106704067
5-chloro-N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107623034
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
2-chloro-N-(4-chloro-3-methoxyphenyl)propanamide
CID 107621348
N-(4-chloro-3-methoxyphenyl)-2-(methylamino)benzamide
CID 107622226

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid (CID 107622770) is 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid is COc1cc(NC(=O)c2cc(C(=O)O)co2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is MBTNDLGASTULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO5/c1-19-10-5-8(2-3-9(10)14)15-12(16)11-4-7(6-20-11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid?
5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 295.68 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methoxyphenyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 107622770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).