2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

C18H24ClF3N2O — CID 119737517

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-23(11-12-3-2-4-14(7-12)18(19,20)21)17(24)10-13-8-15-5-6-16(9-13)22-15;/h2-4,7,13,15-16,22H,5-6,8-11H2,1H3;1H
InChIKeyOEMXGTNRRWCRBQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.01
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119737517) has the molecular formula C18H24ClF3N2O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119737517
Molecular FormulaC18H24ClF3N2O
Molecular Weight376.85 g/mol
Exact Mass376.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C18H23F3N2O.ClH/c1-23(11-12-3-2-4-14(7-12)18(19,20)21)17(24)10-13-8-15-5-6-16(9-13)22-15;/h2-4,7,13,15-16,22H,5-6,8-11H2,1H3;1H
InChIKeyOEMXGTNRRWCRBQ-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681824
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119297056
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
CID 119736719
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119805915

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride (CID 119737517) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is CN(Cc1cccc(C(F)(F)F)c1)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is OEMXGTNRRWCRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O.ClH/c1-23(11-12-3-2-4-14(7-12)18(19,20)21)17(24)10-13-8-15-5-6-16(9-13)22-15;/h2-4,7,13,15-16,22H,5-6,8-11H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119737517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).