N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane

C16H22F3NO — CID 143518769

IUPACN-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO.C2H6/c1-9-6-7-10(8-12(9)14(15,16)17)13(19)18-11-4-2-3-5-11;1-2/h6-8,11H,2-5H2,1H3,(H,18,19);1-2H3
InChIKeyNXOPGFRICSIOLT-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.71
Rot. Bonds2

About N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane

N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane (PubChem CID 143518769) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
PubChem CID143518769
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO.C2H6/c1-9-6-7-10(8-12(9)14(15,16)17)13(19)18-11-4-2-3-5-11;1-2/h6-8,11H,2-5H2,1H3,(H,18,19);1-2H3
InChIKeyNXOPGFRICSIOLT-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
CID 146047094
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785
cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 175669825
N-cyclooctyl-4-methylbenzamide
CID 3995245

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane?
The IUPAC name of N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane (CID 143518769) is N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane.
What is the SMILES notation for N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane?
The canonical SMILES for N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane is CC.Cc1ccc(C(=O)NC2CCCC2)cc1C(F)(F)F.
What is the InChIKey of N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane?
The InChIKey is NXOPGFRICSIOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO.C2H6/c1-9-6-7-10(8-12(9)14(15,16)17)13(19)18-11-4-2-3-5-11;1-2/h6-8,11H,2-5H2,1H3,(H,18,19);1-2H3.
What are the key properties of N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane?
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane has a molecular weight of 301.35 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane is sourced from PubChem (CID 143518769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).