N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide

C15H13NO4 — CID 103892306

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
SMILESO=C(NC1COc2ccccc21)c1cc(O)ccc1O
InChIInChI=1S/C15H13NO4/c17-9-5-6-13(18)11(7-9)15(19)16-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,17-18H,8H2,(H,16,19)
InChIKeyXJJQAGZVSURQJO-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.96
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide

N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide (PubChem CID 103892306) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
PubChem CID103892306
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide
SMILESO=C(NC1COc2ccccc21)c1cc(O)ccc1O
InChIInChI=1S/C15H13NO4/c17-9-5-6-13(18)11(7-9)15(19)16-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,17-18H,8H2,(H,16,19)
InChIKeyXJJQAGZVSURQJO-UHFFFAOYSA-N
XLogP1.96
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-2-hydroxybenzamide
CID 62071970
2-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 62070746
N-(2,3-dihydro-1-benzofuran-3-yl)-2,3,4-trifluorobenzamide
CID 110751620
N-(2,3-dihydro-1-benzofuran-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107030521
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
1-cyclopropyl-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 94840101
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 97003353
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
3-bromo-N-(2,3-dihydro-1-benzofuran-3-yl)-4-fluorobenzamide
CID 103707167
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-[7,11-bis[(2-hydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]-2-hydroxybenzamide
CID 73063968
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-1-methyl-3-[(3S)-oxolan-3-yl]pyrazole-4-carboxamide
CID 129473435

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide (CID 103892306) is N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide is O=C(NC1COc2ccccc21)c1cc(O)ccc1O.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide?
The InChIKey is XJJQAGZVSURQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-9-5-6-13(18)11(7-9)15(19)16-12-8-20-14-4-2-1-3-10(12)14/h1-7,12,17-18H,8H2,(H,16,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide has a molecular weight of 271.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 103892306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).