6-acetyl-N-methyl-1-benzofuran-2-carboxamide

C12H11NO3 — CID 167002828

IUPAC6-acetyl-N-methyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cc2ccc(C(C)=O)cc2o1
InChIInChI=1S/C12H11NO3/c1-7(14)8-3-4-9-6-11(12(15)13-2)16-10(9)5-8/h3-6H,1-2H3,(H,13,15)
InChIKeyGDYQYPWPYDTUAV-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.00
Rot. Bonds2

About 6-acetyl-N-methyl-1-benzofuran-2-carboxamide

6-acetyl-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 167002828) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-acetyl-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-methyl-1-benzofuran-2-carboxamide
PubChem CID167002828
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6-acetyl-N-methyl-1-benzofuran-2-carboxamide
SMILESCNC(=O)c1cc2ccc(C(C)=O)cc2o1
InChIInChI=1S/C12H11NO3/c1-7(14)8-3-4-9-6-11(12(15)13-2)16-10(9)5-8/h3-6H,1-2H3,(H,13,15)
InChIKeyGDYQYPWPYDTUAV-UHFFFAOYSA-N
XLogP2.00
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-1-benzofuran-6-yl)ethanone
CID 83898344
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-methylfuro[2,3-f][1,3]benzodioxole-6-carboxamide
CID 139623375
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
(6-methoxycarbonyl-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 71577616
N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20856926
N-[2-(pyridine-4-carbonyl)-1-benzofuran-6-yl]acetamide
CID 140967943
1-naphtho[2,1-b][1]benzofuran-9-ylethanone
CID 170226949
1-(1-benzofuran-2-yl)ethanone
CID 15435
6-fluoro-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 166375965
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-acetyl-N-methyl-1-benzofuran-2-carboxamide (CID 167002828) is 6-acetyl-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-acetyl-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-acetyl-N-methyl-1-benzofuran-2-carboxamide is CNC(=O)c1cc2ccc(C(C)=O)cc2o1.
What is the InChIKey of 6-acetyl-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GDYQYPWPYDTUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7(14)8-3-4-9-6-11(12(15)13-2)16-10(9)5-8/h3-6H,1-2H3,(H,13,15).
What are the key properties of 6-acetyl-N-methyl-1-benzofuran-2-carboxamide?
6-acetyl-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 167002828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).