N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

C25H22ClNO3 — CID 18861012

IUPACN-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H22ClNO3/c1-2-29-22-11-9-21(10-12-22)27(16-18-6-4-3-5-7-18)25(28)14-19-17-30-24-13-8-20(26)15-23(19)24/h3-13,15,17H,2,14,16H2,1H3
InChIKeyFCHIGZDMZCXRLD-UHFFFAOYSA-N
MW419.91 g/mol
LogP6.26
Rot. Bonds7

About N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide

N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 18861012) has the molecular formula C25H22ClNO3 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID18861012
Molecular FormulaC25H22ClNO3
Molecular Weight419.91 g/mol
Exact Mass419.13
IUPAC NameN-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(Cl)cc23)cc1
InChIInChI=1S/C25H22ClNO3/c1-2-29-22-11-9-21(10-12-22)27(16-18-6-4-3-5-7-18)25(28)14-19-17-30-24-13-8-20(26)15-23(19)24/h3-13,15,17H,2,14,16H2,1H3
InChIKeyFCHIGZDMZCXRLD-UHFFFAOYSA-N
XLogP6.26
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide 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-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide (CID 18861012) is N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(Cl)cc23)cc1.
What is the InChIKey of N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is FCHIGZDMZCXRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO3/c1-2-29-22-11-9-21(10-12-22)27(16-18-6-4-3-5-7-18)25(28)14-19-17-30-24-13-8-20(26)15-23(19)24/h3-13,15,17H,2,14,16H2,1H3.
What are the key properties of N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide?
N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 419.91 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-1-benzofuran-3-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 18861012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).