2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride

C22H30ClF3N2O — CID 119752290

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C22H29F3N2O.ClH/c23-22(24,25)17-5-3-4-16(13-17)21(8-1-2-9-21)14-26-20(28)12-15-10-18-6-7-19(11-15)27-18;/h3-5,13,15,18-19,27H,1-2,6-12,14H2,(H,26,28);1H
InChIKeyUOARZARCUDZHAO-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.98
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride (PubChem CID 119752290) has the molecular formula C22H30ClF3N2O and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
PubChem CID119752290
Molecular FormulaC22H30ClF3N2O
Molecular Weight430.94 g/mol
Exact Mass430.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C22H29F3N2O.ClH/c23-22(24,25)17-5-3-4-16(13-17)21(8-1-2-9-21)14-26-20(28)12-15-10-18-6-7-19(11-15)27-18;/h3-5,13,15,18-19,27H,1-2,6-12,14H2,(H,26,28);1H
InChIKeyUOARZARCUDZHAO-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976448
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide;hydrochloride
CID 119736719
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
4-hydroxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]pyrrolidine-2-carboxamide
CID 119805133
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride (CID 119752290) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride?
The InChIKey is UOARZARCUDZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O.ClH/c23-22(24,25)17-5-3-4-16(13-17)21(8-1-2-9-21)14-26-20(28)12-15-10-18-6-7-19(11-15)27-18;/h3-5,13,15,18-19,27H,1-2,6-12,14H2,(H,26,28);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride has a molecular weight of 430.94 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 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-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119752290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).