3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid

C17H13NO5 — CID 124688750

IUPAC3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)oc12
InChIInChI=1S/C17H13NO5/c1-22-13-7-3-4-10-9-14(23-15(10)13)16(19)18-12-6-2-5-11(8-12)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyXIEVFLHUJUCONS-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.39
Rot. Bonds4

About 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid

3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid (PubChem CID 124688750) has the molecular formula C17H13NO5 and a molecular weight of 311.29 g/mol. Its IUPAC name is 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
PubChem CID124688750
Molecular FormulaC17H13NO5
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)oc12
InChIInChI=1S/C17H13NO5/c1-22-13-7-3-4-10-9-14(23-15(10)13)16(19)18-12-6-2-5-11(8-12)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyXIEVFLHUJUCONS-UHFFFAOYSA-N
XLogP3.39
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 28590113
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
7-methoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 100530050
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 136510579

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid (CID 124688750) is 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid is COc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)oc12.
What is the InChIKey of 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid?
The InChIKey is XIEVFLHUJUCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO5/c1-22-13-7-3-4-10-9-14(23-15(10)13)16(19)18-12-6-2-5-11(8-12)17(20)21/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid?
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid has a molecular weight of 311.29 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 124688750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).