N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C17H15NO4 — CID 84578185

IUPACN-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3c(o2)CCCC3=O)c1
InChIInChI=1S/C17H15NO4/c1-10(19)11-4-2-5-12(8-11)18-17(21)16-9-13-14(20)6-3-7-15(13)22-16/h2,4-5,8-9H,3,6-7H2,1H3,(H,18,21)
InChIKeyJJAFAPMKNILGQP-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.25
Rot. Bonds3

About N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 84578185) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID84578185
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3c(o2)CCCC3=O)c1
InChIInChI=1S/C17H15NO4/c1-10(19)11-4-2-5-12(8-11)18-17(21)16-9-13-14(20)6-3-7-15(13)22-16/h2,4-5,8-9H,3,6-7H2,1H3,(H,18,21)
InChIKeyJJAFAPMKNILGQP-UHFFFAOYSA-N
XLogP3.25
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606
N-(3-acetylphenyl)-7-fluoro-1-oxoisochromene-3-carboxamide
CID 172905217
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
N-(3-acetylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861421
N-(3-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7959040
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 84578185) is N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc3c(o2)CCCC3=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is JJAFAPMKNILGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10(19)11-4-2-5-12(8-11)18-17(21)16-9-13-14(20)6-3-7-15(13)22-16/h2,4-5,8-9H,3,6-7H2,1H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84578185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).