N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide

C15H19F3N2O — CID 79114417

IUPACN-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)C1CCC(N)CC1
InChIInChI=1S/C15H19F3N2O/c1-20(13-7-5-12(19)6-8-13)14(21)10-3-2-4-11(9-10)15(16,17)18/h2-4,9,12-13H,5-8,19H2,1H3
InChIKeyNNBUHVJXZNIDJT-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.05
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide

N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 79114417) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID79114417
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1cccc(C(F)(F)F)c1)C1CCC(N)CC1
InChIInChI=1S/C15H19F3N2O/c1-20(13-7-5-12(19)6-8-13)14(21)10-3-2-4-11(9-10)15(16,17)18/h2-4,9,12-13H,5-8,19H2,1H3
InChIKeyNNBUHVJXZNIDJT-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-(4-aminocyclohexyl)-3-cyano-N-methylbenzamide
CID 79121217
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide (CID 79114417) is N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide is CN(C(=O)c1cccc(C(F)(F)F)c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is NNBUHVJXZNIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-20(13-7-5-12(19)6-8-13)14(21)10-3-2-4-11(9-10)15(16,17)18/h2-4,9,12-13H,5-8,19H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide?
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79114417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).