N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide

C17H15NO3 — CID 732392

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C17H15NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-8-7-13-11-21-17(20)15(13)10-14/h1-5,7-8,10H,6,9,11H2,(H,18,19)
InChIKeyZXFMMFGKVNYFFK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.93
Rot. Bonds4

About N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide

N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide (PubChem CID 732392) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide
PubChem CID732392
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C17H15NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-8-7-13-11-21-17(20)15(13)10-14/h1-5,7-8,10H,6,9,11H2,(H,18,19)
InChIKeyZXFMMFGKVNYFFK-UHFFFAOYSA-N
XLogP2.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide (CID 732392) is N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide?
The InChIKey is ZXFMMFGKVNYFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(9-6-12-4-2-1-3-5-12)18-14-8-7-13-11-21-17(20)15(13)10-14/h1-5,7-8,10H,6,9,11H2,(H,18,19).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide?
N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide has a molecular weight of 281.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 732392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).