N-(4-acetylphenyl)-1-benzofuran-2-carboxamide

C17H13NO3 — CID 675185

IUPACN-(4-acetylphenyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H13NO3/c1-11(19)12-6-8-14(9-7-12)18-17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3,(H,18,20)
InChIKeyRKYMAFVQPILVSG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.89
Rot. Bonds3

About N-(4-acetylphenyl)-1-benzofuran-2-carboxamide

N-(4-acetylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 675185) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-benzofuran-2-carboxamide
PubChem CID675185
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-(4-acetylphenyl)-1-benzofuran-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C17H13NO3/c1-11(19)12-6-8-14(9-7-12)18-17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3,(H,18,20)
InChIKeyRKYMAFVQPILVSG-UHFFFAOYSA-N
XLogP3.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-benzofuran-2-carboxamide (CID 675185) is N-(4-acetylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-benzofuran-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RKYMAFVQPILVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11(19)12-6-8-14(9-7-12)18-17(20)16-10-13-4-2-3-5-15(13)21-16/h2-10H,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-1-benzofuran-2-carboxamide?
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 675185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).