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

C12H7Cl2NO4 — CID 106683323

IUPAC4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H7Cl2NO4/c13-8-2-1-6(12(17)18)5-9(8)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyZKRJZIGZUWDDTJ-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.54
Rot. Bonds3

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

4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid (PubChem CID 106683323) has the molecular formula C12H7Cl2NO4 and a molecular weight of 300.10 g/mol. Its IUPAC name is 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
PubChem CID106683323
Molecular FormulaC12H7Cl2NO4
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1
InChIInChI=1S/C12H7Cl2NO4/c13-8-2-1-6(12(17)18)5-9(8)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyZKRJZIGZUWDDTJ-UHFFFAOYSA-N
XLogP3.54
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
4-chloro-3-[(2,5-dichlorothiophene-3-carbonyl)amino]benzoic acid
CID 107959571
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
3-[(2-aminobenzoyl)amino]-4-chlorobenzoic acid
CID 61213678
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
methyl 3-[(2-bromofuran-3-carbonyl)amino]-4-chlorobenzoate
CID 106852836
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
4-chloro-3-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid (CID 106683323) is 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2ccoc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The InChIKey is ZKRJZIGZUWDDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO4/c13-8-2-1-6(12(17)18)5-9(8)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid has a molecular weight of 300.10 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106683323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).