2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

C20H28ClF3N2O — CID 119805827

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C20H27F3N2O.ClH/c1-14-2-4-15(5-3-14)8-9-25(13-20(21,22)23)19(26)12-16-10-17-6-7-18(11-16)24-17;/h2-5,16-18,24H,6-13H2,1H3;1H
InChIKeyLYRZOKBTLWOILC-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.27
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (PubChem CID 119805827) has the molecular formula C20H28ClF3N2O and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
PubChem CID119805827
Molecular FormulaC20H28ClF3N2O
Molecular Weight404.90 g/mol
Exact Mass404.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
SMILESCc1ccc(CCN(CC(F)(F)F)C(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C20H27F3N2O.ClH/c1-14-2-4-15(5-3-14)8-9-25(13-20(21,22)23)19(26)12-16-10-17-6-7-18(11-16)24-17;/h2-5,16-18,24H,6-13H2,1H3;1H
InChIKeyLYRZOKBTLWOILC-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethylpropyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119790202
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide;hydrochloride
CID 119753319
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[2-methyl-2-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119805915
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 119795544
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120611397
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
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 119779579

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride (CID 119805827) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is Cc1ccc(CCN(CC(F)(F)F)C(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
The InChIKey is LYRZOKBTLWOILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O.ClH/c1-14-2-4-15(5-3-14)8-9-25(13-20(21,22)23)19(26)12-16-10-17-6-7-18(11-16)24-17;/h2-5,16-18,24H,6-13H2,1H3;1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride has a molecular weight of 404.90 g/mol, XLogP of 4.27, 6 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-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride is sourced from PubChem (CID 119805827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).