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

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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).