2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol

C22H31F3N2O2 — CID 162732154

IUPAC2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
SMILESCC.CCCC(C)(C)C(=O)Nc1ccnc(C(F)(F)F)c1.Cc1ccc(O)cc1
InChIInChI=1S/C13H17F3N2O.C7H8O.C2H6/c1-4-6-12(2,3)11(19)18-9-5-7-17-10(8-9)13(14,15)16;1-6-2-4-7(8)5-3-6;1-2/h5,7-8H,4,6H2,1-3H3,(H,17,18,19);2-5,8H,1H3;1-2H3
InChIKeyCGCCEPUIBIWBOV-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.59
Rot. Bonds4

About 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol

2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol (PubChem CID 162732154) has the molecular formula C22H31F3N2O2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
PubChem CID162732154
Molecular FormulaC22H31F3N2O2
Molecular Weight412.50 g/mol
Exact Mass412.23
IUPAC Name2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol
SMILESCC.CCCC(C)(C)C(=O)Nc1ccnc(C(F)(F)F)c1.Cc1ccc(O)cc1
InChIInChI=1S/C13H17F3N2O.C7H8O.C2H6/c1-4-6-12(2,3)11(19)18-9-5-7-17-10(8-9)13(14,15)16;1-6-2-4-7(8)5-3-6;1-2/h5,7-8H,4,6H2,1-3H3,(H,17,18,19);2-5,8H,1H3;1-2H3
InChIKeyCGCCEPUIBIWBOV-UHFFFAOYSA-N
XLogP6.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
2-[(2,3,4,5,6-pentafluorophenoxy)amino]-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 130387825
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
3-(4-bromo-3-methylphenoxy)-2,2,3-trimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]butanamide
CID 162732177
5-chloro-2-hydroxy-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 168876082
6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
2-chloro-6-methoxy-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 163252999
N-(7-chlorohept-1-en-2-yl)-2-(trifluoromethyl)pyridin-4-amine
CID 144811176
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
2-(3-hydroxyphenoxy)-1,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 123604699
6-(2-methoxyethoxy)-2-(1-methylimidazol-2-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005985
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol?
The IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol (CID 162732154) is 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol?
The canonical SMILES for 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol is CC.CCCC(C)(C)C(=O)Nc1ccnc(C(F)(F)F)c1.Cc1ccc(O)cc1.
What is the InChIKey of 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol?
The InChIKey is CGCCEPUIBIWBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O.C7H8O.C2H6/c1-4-6-12(2,3)11(19)18-9-5-7-17-10(8-9)13(14,15)16;1-6-2-4-7(8)5-3-6;1-2/h5,7-8H,4,6H2,1-3H3,(H,17,18,19);2-5,8H,1H3;1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol?
2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol has a molecular weight of 412.50 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trifluoromethyl)-4-pyridinyl]pentanamide;ethane;4-methylphenol is sourced from PubChem (CID 162732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).