N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide

C16H19F3N2O — CID 2801489

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN1C2CCC1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H19F3N2O/c1-21-13-5-6-14(21)9-12(8-13)20-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12-14H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyGLXPMUFQXRHRCJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.06
Rot. Bonds2

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 2801489) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID2801489
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCN1C2CCC1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H19F3N2O/c1-21-13-5-6-14(21)9-12(8-13)20-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12-14H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyGLXPMUFQXRHRCJ-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide (CID 2801489) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide is CN1C2CCC1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is GLXPMUFQXRHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-21-13-5-6-14(21)9-12(8-13)20-15(22)10-3-2-4-11(7-10)16(17,18)19/h2-4,7,12-14H,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2801489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).