2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C23H21F3N2O3 — CID 47071517

IUPAC2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)16-31-21(18-8-2-1-3-9-18)22(29)28-14-17-7-6-11-20(13-17)30-15-19-10-4-5-12-27-19/h1-13,21H,14-16H2,(H,28,29)
InChIKeyIBQRPAWWVZQUPG-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.60
Rot. Bonds9

About 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47071517) has the molecular formula C23H21F3N2O3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47071517
Molecular FormulaC23H21F3N2O3
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C(OCC(F)(F)F)c1ccccc1
InChIInChI=1S/C23H21F3N2O3/c24-23(25,26)16-31-21(18-8-2-1-3-9-18)22(29)28-14-17-7-6-11-20(13-17)30-15-19-10-4-5-12-27-19/h1-13,21H,14-16H2,(H,28,29)
InChIKeyIBQRPAWWVZQUPG-UHFFFAOYSA-N
XLogP4.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)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 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 47071517) is 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(NCc1cccc(OCc2ccccn2)c1)C(OCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is IBQRPAWWVZQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3/c24-23(25,26)16-31-21(18-8-2-1-3-9-18)22(29)28-14-17-7-6-11-20(13-17)30-15-19-10-4-5-12-27-19/h1-13,21H,14-16H2,(H,28,29).
What are the key properties of 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47071517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).