1-benzofuran-2-carboxamide

C9H7NO2 — CID 687121

IUPAC1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C9H7NO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)
InChIKeyQHKJIJXBJCOABP-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.53
Rot. Bonds1

About 1-benzofuran-2-carboxamide

1-benzofuran-2-carboxamide (PubChem CID 687121) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name1-benzofuran-2-carboxamide
PubChem CID687121
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-benzofuran-2-carboxamide
SMILESNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C9H7NO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11)
InChIKeyQHKJIJXBJCOABP-UHFFFAOYSA-N
XLogP1.53
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetylbenzofuran
CID 15435
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
N-(5-o-Tolyl-furan-2-carbonyl)-guanidine
CID 11218749
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
2-Benzofurancarboxamide, N-methyl-
CID 660372
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
3-Aminobenzofuran-2-carboxamide
CID 600546
1-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
N-[5-(2-Ethyl-phenyl)-furan-2-carbonyl]-guanidine
CID 11172909
N-(5-m-Tolyl-furan-2-carbonyl)-guanidine
CID 11390872

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-carboxamide?
The IUPAC name of 1-benzofuran-2-carboxamide (CID 687121) is 1-benzofuran-2-carboxamide.
What is the SMILES notation for 1-benzofuran-2-carboxamide?
The canonical SMILES for 1-benzofuran-2-carboxamide is NC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-carboxamide?
The InChIKey is QHKJIJXBJCOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,10,11).
What are the key properties of 1-benzofuran-2-carboxamide?
1-benzofuran-2-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-carboxamide is sourced from PubChem (CID 687121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).