2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid

C17H13NO4 — CID 43823107

IUPAC2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
SMILESCN(C(=O)c1cc2ccccc2o1)c1ccccc1C(=O)O
InChIInChI=1S/C17H13NO4/c1-18(13-8-4-3-7-12(13)17(20)21)16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,20,21)
InChIKeyFFFFVTWSZADLBT-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.41
Rot. Bonds3

About 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid

2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid (PubChem CID 43823107) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
PubChem CID43823107
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid
SMILESCN(C(=O)c1cc2ccccc2o1)c1ccccc1C(=O)O
InChIInChI=1S/C17H13NO4/c1-18(13-8-4-3-7-12(13)17(20)21)16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,20,21)
InChIKeyFFFFVTWSZADLBT-UHFFFAOYSA-N
XLogP3.41
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-methyl-1-benzofuran-2-carboxamide
CID 62983453
2-[(6-methoxy-2-oxochromene-3-carbonyl)-methylamino]benzoic acid
CID 21235325
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
1-(1-benzofuran-2-yl)ethanone
CID 15435
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
N-[1-(3,5-dimethylpyrazolidin-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 134127836
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid (CID 43823107) is 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid is CN(C(=O)c1cc2ccccc2o1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid?
The InChIKey is FFFFVTWSZADLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-18(13-8-4-3-7-12(13)17(20)21)16(19)15-10-11-6-2-5-9-14(11)22-15/h2-10H,1H3,(H,20,21).
What are the key properties of 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid?
2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-carbonyl(methyl)amino]benzoic acid is sourced from PubChem (CID 43823107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).