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

C18H24ClF3N2O2 — CID 119736719

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)13-2-1-3-16(11-13)25-7-6-22-17(24)10-12-8-14-4-5-15(9-12)23-14;/h1-3,11-12,14-15,23H,4-10H2,(H,22,24);1H
InChIKeyTZUWWXWZSDNDJS-UHFFFAOYSA-N
MW392.85 g/mol
LogP3.54
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride (PubChem CID 119736719) has the molecular formula C18H24ClF3N2O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
PubChem CID119736719
Molecular FormulaC18H24ClF3N2O2
Molecular Weight392.85 g/mol
Exact Mass392.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)13-2-1-3-16(11-13)25-7-6-22-17(24)10-12-8-14-4-5-15(9-12)23-14;/h1-3,11-12,14-15,23H,4-10H2,(H,22,24);1H
InChIKeyTZUWWXWZSDNDJS-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
CID 119746386
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 119736772
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
CID 119752290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride (CID 119736719) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride?
The InChIKey is TZUWWXWZSDNDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)13-2-1-3-16(11-13)25-7-6-22-17(24)10-12-8-14-4-5-15(9-12)23-14;/h1-3,11-12,14-15,23H,4-10H2,(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride has a molecular weight of 392.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119736719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).