N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

C14H15F4NO — CID 30148120

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H15F4NO/c15-12-7-6-10(8-11(12)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChIKeyLMAZSDOUPGUAEY-UHFFFAOYSA-N
MW289.27 g/mol
LogP4.36
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (PubChem CID 30148120) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
PubChem CID30148120
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H15F4NO/c15-12-7-6-10(8-11(12)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20)
InChIKeyLMAZSDOUPGUAEY-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

N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 163584041
(3S)-1-(benzenesulfonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 28550024
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide (CID 30148120) is N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is LMAZSDOUPGUAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c15-12-7-6-10(8-11(12)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,19,20).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide?
N-[4-fluoro-3-(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-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 30148120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).