N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide

C26H21F6N3O2 — CID 44524670

IUPACN-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H21F6N3O2/c1-17(36)34-20-7-10-22(11-8-20)37-13-12-35(16-19-4-2-3-5-23(19)25(27,28)29)21-9-6-18(15-33)24(14-21)26(30,31)32/h2-11,14H,12-13,16H2,1H3,(H,34,36)
InChIKeyQCWIGYJDRTUTMK-UHFFFAOYSA-N
MW521.46 g/mol
LogP6.64
Rot. Bonds8

About N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide

N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide (PubChem CID 44524670) has the molecular formula C26H21F6N3O2 and a molecular weight of 521.46 g/mol. Its IUPAC name is N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide
PubChem CID44524670
Molecular FormulaC26H21F6N3O2
Molecular Weight521.46 g/mol
Exact Mass521.15
IUPAC NameN-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCN(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C26H21F6N3O2/c1-17(36)34-20-7-10-22(11-8-20)37-13-12-35(16-19-4-2-3-5-23(19)25(27,28)29)21-9-6-18(15-33)24(14-21)26(30,31)32/h2-11,14H,12-13,16H2,1H3,(H,34,36)
InChIKeyQCWIGYJDRTUTMK-UHFFFAOYSA-N
XLogP6.64
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]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-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide (CID 44524670) is N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCN(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide?
The InChIKey is QCWIGYJDRTUTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F6N3O2/c1-17(36)34-20-7-10-22(11-8-20)37-13-12-35(16-19-4-2-3-5-23(19)25(27,28)29)21-9-6-18(15-33)24(14-21)26(30,31)32/h2-11,14H,12-13,16H2,1H3,(H,34,36).
What are the key properties of N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide?
N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide has a molecular weight of 521.46 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-cyano-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]anilino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 44524670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).