5-chloro-2-(furan-3-carbonylamino)benzoic acid

C12H8ClNO4 — CID 16771214

IUPAC5-chloro-2-(furan-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccoc1
InChIInChI=1S/C12H8ClNO4/c13-8-1-2-10(9(5-8)12(16)17)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyNOJLQDHAZZEUIN-UHFFFAOYSA-N
MW265.65 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-2-(furan-3-carbonylamino)benzoic acid

5-chloro-2-(furan-3-carbonylamino)benzoic acid (PubChem CID 16771214) has the molecular formula C12H8ClNO4 and a molecular weight of 265.65 g/mol. Its IUPAC name is 5-chloro-2-(furan-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(furan-3-carbonylamino)benzoic acid
PubChem CID16771214
Molecular FormulaC12H8ClNO4
Molecular Weight265.65 g/mol
Exact Mass265.01
IUPAC Name5-chloro-2-(furan-3-carbonylamino)benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1ccoc1
InChIInChI=1S/C12H8ClNO4/c13-8-1-2-10(9(5-8)12(16)17)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17)
InChIKeyNOJLQDHAZZEUIN-UHFFFAOYSA-N
XLogP2.88
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.65
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-3-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269172
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
5-chloro-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45433715
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
4-bromo-2-(furan-3-carbonylamino)benzoic acid
CID 54932571
5-chloro-4-(furan-3-carbonylamino)-2-methoxybenzoic acid
CID 43614418
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385
4-[(2-benzamido-5-chlorobenzoyl)amino]benzoic acid
CID 22672074
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(furan-3-carbonylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(furan-3-carbonylamino)benzoic acid (CID 16771214) is 5-chloro-2-(furan-3-carbonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(furan-3-carbonylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(furan-3-carbonylamino)benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccoc1.
What is the InChIKey of 5-chloro-2-(furan-3-carbonylamino)benzoic acid?
The InChIKey is NOJLQDHAZZEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO4/c13-8-1-2-10(9(5-8)12(16)17)14-11(15)7-3-4-18-6-7/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-(furan-3-carbonylamino)benzoic acid?
5-chloro-2-(furan-3-carbonylamino)benzoic acid has a molecular weight of 265.65 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(furan-3-carbonylamino)benzoic acid is sourced from PubChem (CID 16771214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).