N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide

C18H15NO3 — CID 84577090

IUPACN-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3o2)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-14-10-17(22-16(14)8-11)18(21)19-15-5-3-4-13(9-15)12(2)20/h3-10H,1-2H3,(H,19,21)
InChIKeyAIZGKMYYOREQLN-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.20
Rot. Bonds3

About N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide

N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 84577090) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
PubChem CID84577090
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3o2)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-14-10-17(22-16(14)8-11)18(21)19-15-5-3-4-13(9-15)12(2)20/h3-10H,1-2H3,(H,19,21)
InChIKeyAIZGKMYYOREQLN-UHFFFAOYSA-N
XLogP4.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20856926
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
N-(3-acetylphenyl)-7-fluoro-1-oxoisochromene-3-carboxamide
CID 172905217
6-acetyl-N-methyl-1-benzofuran-2-carboxamide
CID 167002828
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476452
N-(3-acetylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 4057606

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide (CID 84577090) is N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc3ccc(C)cc3o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AIZGKMYYOREQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-6-7-14-10-17(22-16(14)8-11)18(21)19-15-5-3-4-13(9-15)12(2)20/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide?
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84577090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).