N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide

C15H15F3N2O — CID 60592180

IUPACN-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
SMILESN#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-6-4-5-11(9-12)13(21)20-14(10-19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,20,21)
InChIKeyAGMGVWQOSWTATK-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.66
Rot. Bonds2

About N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide

N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide (PubChem CID 60592180) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
PubChem CID60592180
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC NameN-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide
SMILESN#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)12-6-4-5-11(9-12)13(21)20-14(10-19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,20,21)
InChIKeyAGMGVWQOSWTATK-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
N-(1-cyanocycloheptyl)-3-iodobenzamide
CID 54904742
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
N-(1-cyanocyclobutyl)-3-iodobenzamide
CID 61400585
N-(1-cyanocycloheptyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 30666896
N-(1-cyanocyclopentyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435604
(3R)-N-(1-cyanocyclohexyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97011463
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide (CID 60592180) is N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide is N#CC1(NC(=O)c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide?
The InChIKey is AGMGVWQOSWTATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)12-6-4-5-11(9-12)13(21)20-14(10-19)7-2-1-3-8-14/h4-6,9H,1-3,7-8H2,(H,20,21).
What are the key properties of N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide?
N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide has a molecular weight of 296.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 60592180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).