7-acetyl-4-methoxy-1-benzofuran-2-carboxamide

C12H11NO4 — CID 13258186

IUPAC7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)=O)c2oc(C(N)=O)cc12
InChIInChI=1S/C12H11NO4/c1-6(14)7-3-4-9(16-2)8-5-10(12(13)15)17-11(7)8/h3-5H,1-2H3,(H2,13,15)
InChIKeyFBCKNSNZTPXQIX-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.74
Rot. Bonds3

About 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide

7-acetyl-4-methoxy-1-benzofuran-2-carboxamide (PubChem CID 13258186) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
PubChem CID13258186
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name7-acetyl-4-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)=O)c2oc(C(N)=O)cc12
InChIInChI=1S/C12H11NO4/c1-6(14)7-3-4-9(16-2)8-5-10(12(13)15)17-11(7)8/h3-5H,1-2H3,(H2,13,15)
InChIKeyFBCKNSNZTPXQIX-UHFFFAOYSA-N
XLogP1.74
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-7-nitro-1-benzofuran-2-yl)ethanone
CID 12809468
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
N,N-diethyl-4,7-dimethoxy-1-benzofuran-2-carboxamide
CID 163459756
2-ethoxy-3,4-dimethoxybenzamide
CID 141309813
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-(3-acetyl-2-amino-4-methoxyphenyl)ethanone
CID 151811277
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
1-(4-methoxy-1,3-benzoxazol-7-yl)ethanone
CID 138489181
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide (CID 13258186) is 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide is COc1ccc(C(C)=O)c2oc(C(N)=O)cc12.
What is the InChIKey of 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is FBCKNSNZTPXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-6(14)7-3-4-9(16-2)8-5-10(12(13)15)17-11(7)8/h3-5H,1-2H3,(H2,13,15).
What are the key properties of 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide?
7-acetyl-4-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 233.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 13258186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).