2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride

C18H24ClF3N2O2 — CID 119769273

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)17(25,13-4-2-1-3-5-13)11-22-16(24)10-12-8-14-6-7-15(9-12)23-14;/h1-5,12,14-15,23,25H,6-11H2,(H,22,24);1H
InChIKeyYCAQUQHWXAYTHN-UHFFFAOYSA-N
MW392.85 g/mol
LogP2.90
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride (PubChem CID 119769273) 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-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
PubChem CID119769273
Molecular FormulaC18H24ClF3N2O2
Molecular Weight392.85 g/mol
Exact Mass392.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)17(25,13-4-2-1-3-5-13)11-22-16(24)10-12-8-14-6-7-15(9-12)23-14;/h1-5,12,14-15,23,25H,6-11H2,(H,22,24);1H
InChIKeyYCAQUQHWXAYTHN-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119794353
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756888
2-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119315270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
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-[2-ethyl-2-(1-phenylethylamino)butyl]acetamide
CID 119885767
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 79609823
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
(2S,4S)-2-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 120630295
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride (CID 119769273) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
The InChIKey is YCAQUQHWXAYTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2.ClH/c19-18(20,21)17(25,13-4-2-1-3-5-13)11-22-16(24)10-12-8-14-6-7-15(9-12)23-14;/h1-5,12,14-15,23,25H,6-11H2,(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride has a molecular weight of 392.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 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-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).