N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide

C14H15F4NO — CID 2224325

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H15F4NO/c15-11-7-6-10(14(16,17)18)8-12(11)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChIKeyAUKPMDCDYMVTEF-UHFFFAOYSA-N
MW289.27 g/mol
LogP4.36
Rot. Bonds2

About N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 2224325) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
PubChem CID2224325
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCCC1
InChIInChI=1S/C14H15F4NO/c15-11-7-6-10(14(16,17)18)8-12(11)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChIKeyAUKPMDCDYMVTEF-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
N-[2-nitro-4-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 139638246
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 110361783
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-(2-fluoro-5-methylsulfonylphenyl)cyclohexanecarboxamide
CID 31929476
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79207710
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(2-fluoro-5-sulfamoylphenyl)cyclopentanecarboxamide
CID 61129788
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide (CID 2224325) is N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide is O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCCC1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is AUKPMDCDYMVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c15-11-7-6-10(14(16,17)18)8-12(11)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 289.27 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 2224325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).