4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid

C13H10ClNO4 — CID 16771823

IUPAC4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClNO4/c1-7-9(4-5-19-7)12(16)15-11-6-8(14)2-3-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKDNZOROMLOGVFT-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.19
Rot. Bonds3

About 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid

4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid (PubChem CID 16771823) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
PubChem CID16771823
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid
SMILESCc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClNO4/c1-7-9(4-5-19-7)12(16)15-11-6-8(14)2-3-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyKDNZOROMLOGVFT-UHFFFAOYSA-N
XLogP3.19
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic 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 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid (CID 16771823) is 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid is Cc1occc1C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid?
The InChIKey is KDNZOROMLOGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c1-7-9(4-5-19-7)12(16)15-11-6-8(14)2-3-10(11)13(17)18/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid?
4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid has a molecular weight of 279.68 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylfuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 16771823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).