2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid

C16H10ClNO4 — CID 46846331

IUPAC2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C16H10ClNO4/c17-9-5-6-11(16(20)21)13(7-9)18-15(19)12-8-22-14-4-2-1-3-10(12)14/h1-8H,(H,18,19)(H,20,21)
InChIKeyCLAFJHNZUIWIOO-UHFFFAOYSA-N
MW315.71 g/mol
LogP4.04
Rot. Bonds3

About 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid

2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid (PubChem CID 46846331) has the molecular formula C16H10ClNO4 and a molecular weight of 315.71 g/mol. Its IUPAC name is 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
PubChem CID46846331
Molecular FormulaC16H10ClNO4
Molecular Weight315.71 g/mol
Exact Mass315.03
IUPAC Name2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C16H10ClNO4/c17-9-5-6-11(16(20)21)13(7-9)18-15(19)12-8-22-14-4-2-1-3-10(12)14/h1-8H,(H,18,19)(H,20,21)
InChIKeyCLAFJHNZUIWIOO-UHFFFAOYSA-N
XLogP4.04
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
N-[2-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid?
The IUPAC name of 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid (CID 46846331) is 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid?
The canonical SMILES for 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid is O=C(O)c1ccc(Cl)cc1NC(=O)c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid?
The InChIKey is CLAFJHNZUIWIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO4/c17-9-5-6-11(16(20)21)13(7-9)18-15(19)12-8-22-14-4-2-1-3-10(12)14/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid?
2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid has a molecular weight of 315.71 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-carbonylamino)-4-chlorobenzoic acid is sourced from PubChem (CID 46846331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).