N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide

C14H16F3NO2 — CID 52560778

IUPACN-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,19)
InChIKeyNUCSYDQWZPIUNA-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.10
Rot. Bonds3

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

N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide (PubChem CID 52560778) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
PubChem CID52560778
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-12-8-4-7-11(9-12)18-13(19)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,19)
InChIKeyNUCSYDQWZPIUNA-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 71125129
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 38260168
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide (CID 52560778) is N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide?
The InChIKey is NUCSYDQWZPIUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)20-12-8-4-7-11(9-12)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-(trifluoromethoxy)phenyl]cyclohexanecarboxamide?
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide has a molecular weight of 287.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 52560778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).