N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H20N2O2 — CID 42778372

IUPACN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C23H20N2O2/c26-23(22-16-19-10-4-5-12-21(19)27-22)25(17-20-11-6-7-14-24-20)15-13-18-8-2-1-3-9-18/h1-12,14,16H,13,15,17H2
InChIKeyJZUDEAYTWWHSHI-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.71
Rot. Bonds6

About N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 42778372) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID42778372
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2ccccc2o1)N(CCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C23H20N2O2/c26-23(22-16-19-10-4-5-12-21(19)27-22)25(17-20-11-6-7-14-24-20)15-13-18-8-2-1-3-9-18/h1-12,14,16H,13,15,17H2
InChIKeyJZUDEAYTWWHSHI-UHFFFAOYSA-N
XLogP4.71
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 42778372) is N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is O=C(c1cc2ccccc2o1)N(CCc1ccccc1)Cc1ccccn1.
What is the InChIKey of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JZUDEAYTWWHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(22-16-19-10-4-5-12-21(19)27-22)25(17-20-11-6-7-14-24-20)15-13-18-8-2-1-3-9-18/h1-12,14,16H,13,15,17H2.
What are the key properties of N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42778372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).