N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H15F3N2O — CID 115583698

IUPACN-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-11-7-5-10(9-19)6-8-11/h5-8,12-13H,1-4H2,(H,20,21)
InChIKeyVOPXHHASXGGLOM-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.87
Rot. Bonds2

About N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115583698) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115583698
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-11-7-5-10(9-19)6-8-11/h5-8,12-13H,1-4H2,(H,20,21)
InChIKeyVOPXHHASXGGLOM-UHFFFAOYSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
cis-(1S,2R)-N-[4-(2-hydroxyethyl)phenyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97078025
3-[4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]phenyl]propanoic acid
CID 119252241
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119581157
N-(3-ethynylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583716
N-(4-bromo-3-chlorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107620593
N-(4-bromo-3-methylphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583700
N-(4-pyrimidin-2-yloxyphenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71889282
2-chloro-4-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]benzoic acid
CID 119178941
N-(3-acetamido-4-fluorophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 87002288
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
CID 42908998
N-(2-bromophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47244785

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115583698) is N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is N#Cc1ccc(NC(=O)C2CCCCC2C(F)(F)F)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is VOPXHHASXGGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)13-4-2-1-3-12(13)14(21)20-11-7-5-10(9-19)6-8-11/h5-8,12-13H,1-4H2,(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115583698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).