N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide

C17H13NO4 — CID 18964160

IUPACN-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide
SMILESO=CC(NC(=O)c1ccccc1O)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-10-13(16-9-11-5-1-4-8-15(11)22-16)18-17(21)12-6-2-3-7-14(12)20/h1-10,13,20H,(H,18,21)
InChIKeyAYSVLFLZFJOORB-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide

N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 18964160) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID18964160
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide
SMILESO=CC(NC(=O)c1ccccc1O)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO4/c19-10-13(16-9-11-5-1-4-8-15(11)22-16)18-17(21)12-6-2-3-7-14(12)20/h1-10,13,20H,(H,18,21)
InChIKeyAYSVLFLZFJOORB-UHFFFAOYSA-N
XLogP2.81
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
2-hydroxy-N-(1-oxopropan-2-yl)benzamide
CID 143616084
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 51579914
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide (CID 18964160) is N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide is O=CC(NC(=O)c1ccccc1O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is AYSVLFLZFJOORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-10-13(16-9-11-5-1-4-8-15(11)22-16)18-17(21)12-6-2-3-7-14(12)20/h1-10,13,20H,(H,18,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide?
N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 295.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 18964160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).