N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide

C17H15NO2 — CID 139047608

IUPACN-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide
SMILESC=C1c2ccccc2O[C@@]1(NC(C)=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-15-10-6-7-11-16(15)20-17(12,18-13(2)19)14-8-4-3-5-9-14/h3-11H,1H2,2H3,(H,18,19)/t17-/m1/s1
InChIKeyKIFMRBZYZULNKN-QGZVFWFLSA-N
MW265.31 g/mol
LogP3.08
Rot. Bonds2

About N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide

N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide (PubChem CID 139047608) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide
PubChem CID139047608
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide
SMILESC=C1c2ccccc2O[C@@]1(NC(C)=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-15-10-6-7-11-16(15)20-17(12,18-13(2)19)14-8-4-3-5-9-14/h3-11H,1H2,2H3,(H,18,19)/t17-/m1/s1
InChIKeyKIFMRBZYZULNKN-QGZVFWFLSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide (CID 139047608) is N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide is C=C1c2ccccc2O[C@@]1(NC(C)=O)c1ccccc1.
What is the InChIKey of N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide?
The InChIKey is KIFMRBZYZULNKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-15-10-6-7-11-16(15)20-17(12,18-13(2)19)14-8-4-3-5-9-14/h3-11H,1H2,2H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide?
N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylidene-2-phenyl-1-benzofuran-2-yl]acetamide is sourced from PubChem (CID 139047608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).