5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

C13H8ClNO6 — CID 106683355

IUPAC5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccoc2Cl)cc(C(=O)O)c1
InChIInChI=1S/C13H8ClNO6/c14-10-9(1-2-21-10)11(16)15-8-4-6(12(17)18)3-7(5-8)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyLTHOSGYMTRYYDK-UHFFFAOYSA-N
MW309.66 g/mol
LogP2.58
Rot. Bonds4

About 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 106683355) has the molecular formula C13H8ClNO6 and a molecular weight of 309.66 g/mol. Its IUPAC name is 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID106683355
Molecular FormulaC13H8ClNO6
Molecular Weight309.66 g/mol
Exact Mass309.00
IUPAC Name5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccoc2Cl)cc(C(=O)O)c1
InChIInChI=1S/C13H8ClNO6/c14-10-9(1-2-21-10)11(16)15-8-4-6(12(17)18)3-7(5-8)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyLTHOSGYMTRYYDK-UHFFFAOYSA-N
XLogP2.58
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683314
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
N-(5-carbamoyl-2-chlorophenyl)-2-chlorofuran-3-carboxamide
CID 106685896
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
CID 106685634
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
CID 106686038
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (CID 106683355) is 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccoc2Cl)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is LTHOSGYMTRYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO6/c14-10-9(1-2-21-10)11(16)15-8-4-6(12(17)18)3-7(5-8)13(19)20/h1-5H,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 309.66 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 106683355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).