N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C21H28F3NO — CID 55774524

IUPACN-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCC(C(F)(F)F)C1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H28F3NO/c1-25(20(26)17-8-5-9-18(14-17)21(22,23)24)19-12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3
InChIKeyXDYPJIKODIARBA-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.54
Rot. Bonds3

About N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55774524) has the molecular formula C21H28F3NO and a molecular weight of 367.46 g/mol. Its IUPAC name is N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55774524
Molecular FormulaC21H28F3NO
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC NameN-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCC(C(F)(F)F)C1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C21H28F3NO/c1-25(20(26)17-8-5-9-18(14-17)21(22,23)24)19-12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3
InChIKeyXDYPJIKODIARBA-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide 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

3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-(2-Adamantyl)-3-benzylpyrrolidin-2-one
CID 44419251
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N,N-diethyl-2,2-diphenylacetamide
CID 229107
1-(2-Ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 2914757
2-phenyl-N,N-di(propan-2-yl)butanamide
CID 3747942
1-(3,3-Difluoroazetidin-1-yl)-2-[2-(4-fluorophenyl)-2-adamantyl]ethanone
CID 24945566
3-(3,5-Bis(trifluoromethyl)phenyl)-1-((1r,4r)-4-(dimethylamino)-1-phenylcyclohexyl)pyrrolidin-2-one
CID 44408144
1-(4-Pentan-3-ylpiperazin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 49860499
2-(2,6-Difluorophenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 119099081
N-methyl-N-(1-methylpiperidin-4-yl)-3-phenyladamantane-1-carboxamide
CID 130269278
N-(4,4-difluorocyclohexyl)-6-phenylhexanamide
CID 154665756

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55774524) is N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C(=O)C1CCCC(C(F)(F)F)C1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is XDYPJIKODIARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3NO/c1-25(20(26)17-8-5-9-18(14-17)21(22,23)24)19-12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-14H2,1H3.
What are the key properties of N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylcyclohexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55774524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).