5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid

C12H9Cl2NO4 — CID 163379914

IUPAC5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)C=CCO1
InChIInChI=1S/C12H9Cl2NO4/c13-7-4-8(14)6-9(5-7)15-10(16)12(11(17)18)2-1-3-19-12/h1-2,4-6H,3H2,(H,15,16)(H,17,18)
InChIKeyCUSISVRHRSMAOB-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.34
Rot. Bonds3

About 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid

5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid (PubChem CID 163379914) has the molecular formula C12H9Cl2NO4 and a molecular weight of 302.11 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid
PubChem CID163379914
Molecular FormulaC12H9Cl2NO4
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)C=CCO1
InChIInChI=1S/C12H9Cl2NO4/c13-7-4-8(14)6-9(5-7)15-10(16)12(11(17)18)2-1-3-19-12/h1-2,4-6H,3H2,(H,15,16)(H,17,18)
InChIKeyCUSISVRHRSMAOB-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid?
The IUPAC name of 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid (CID 163379914) is 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid is O=C(O)C1(C(=O)Nc2cc(Cl)cc(Cl)c2)C=CCO1.
What is the InChIKey of 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid?
The InChIKey is CUSISVRHRSMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO4/c13-7-4-8(14)6-9(5-7)15-10(16)12(11(17)18)2-1-3-19-12/h1-2,4-6H,3H2,(H,15,16)(H,17,18).
What are the key properties of 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid?
5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid has a molecular weight of 302.11 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)carbamoyl]-2H-furan-5-carboxylic acid is sourced from PubChem (CID 163379914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).