N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

C14H16F3NO — CID 874898

IUPACN-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,19)
InChIKeyYAQLGOGSVJNBKS-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.22
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 874898) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
PubChem CID874898
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC NameN-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H16F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,19)
InChIKeyYAQLGOGSVJNBKS-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 155823176
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (CID 874898) is N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is YAQLGOGSVJNBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c15-14(16,17)11-7-4-8-12(9-11)18-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 271.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 874898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).