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

C12H7Cl2NO4 — CID 106683314

IUPAC5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H7Cl2NO4/c13-6-1-2-9(8(5-6)12(17)18)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyPAZLRIXOLOYYOD-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid

5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid (PubChem CID 106683314) has the molecular formula C12H7Cl2NO4 and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
PubChem CID106683314
Molecular FormulaC12H7Cl2NO4
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C12H7Cl2NO4/c13-6-1-2-9(8(5-6)12(17)18)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18)
InChIKeyPAZLRIXOLOYYOD-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

2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
2-chloro-N-(5-chloro-2-cyanophenyl)furan-3-carboxamide
CID 106684843
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
5-chloro-2-(furan-3-carbonylamino)benzoic acid
CID 16771214
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
N-(2-amino-4-bromophenyl)-2-chlorofuran-3-carboxamide
CID 106683097
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-methylbenzoate
CID 106685894
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid (CID 106683314) is 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid is O=C(O)c1cc(Cl)ccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
The InChIKey is PAZLRIXOLOYYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO4/c13-6-1-2-9(8(5-6)12(17)18)15-11(16)7-3-4-19-10(7)14/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid?
5-chloro-2-[(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 5-chloro-2-[(2-chlorofuran-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 106683314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).