N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H15NO3 — CID 18089465

IUPACN-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C17H15NO3/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)21-16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyWBNAUIKTJIEXIU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.83
Rot. Bonds3

About N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 18089465) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID18089465
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C17H15NO3/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)21-16/h2-9,16H,10H2,1H3,(H,18,20)
InChIKeyWBNAUIKTJIEXIU-UHFFFAOYSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 18089465) is N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WBNAUIKTJIEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11(19)12-6-4-7-14(9-12)18-17(20)16-10-13-5-2-3-8-15(13)21-16/h2-9,16H,10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18089465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).