2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

C18H23F3N2O2 — CID 119736772

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)13-1-5-16(6-2-13)25-8-7-22-17(24)11-12-9-14-3-4-15(10-12)23-14/h1-2,5-6,12,14-15,23H,3-4,7-11H2,(H,22,24)
InChIKeyKXSJVLJERRBPEV-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.12
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 119736772) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID119736772
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)13-1-5-16(6-2-13)25-8-7-22-17(24)11-12-9-14-3-4-15(10-12)23-14/h1-2,5-6,12,14-15,23H,3-4,7-11H2,(H,22,24)
InChIKeyKXSJVLJERRBPEV-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.12
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-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
CID 119736719
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-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
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-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-propoxyphenyl)methyl]acetamide;hydrochloride
CID 119714363
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 119736772) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is KXSJVLJERRBPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)13-1-5-16(6-2-13)25-8-7-22-17(24)11-12-9-14-3-4-15(10-12)23-14/h1-2,5-6,12,14-15,23H,3-4,7-11H2,(H,22,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.12, 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-[4-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 119736772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).