2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride

C19H27Cl2FN2O — CID 119786059

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C19H26ClFN2O.ClH/c1-19(2,16-6-3-13(21)10-17(16)20)11-22-18(24)9-12-7-14-4-5-15(8-12)23-14;/h3,6,10,12,14-15,23H,4-5,7-9,11H2,1-2H3,(H,22,24);1H
InChIKeyIVKBTJWLZHYYFS-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.22
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (PubChem CID 119786059) has the molecular formula C19H27Cl2FN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
PubChem CID119786059
Molecular FormulaC19H27Cl2FN2O
Molecular Weight389.34 g/mol
Exact Mass388.15
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
SMILESCC(C)(CNC(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C19H26ClFN2O.ClH/c1-19(2,16-6-3-13(21)10-17(16)20)11-22-18(24)9-12-7-14-4-5-15(8-12)23-14;/h3,6,10,12,14-15,23H,4-5,7-9,11H2,1-2H3,(H,22,24);1H
InChIKeyIVKBTJWLZHYYFS-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(2-methylphenyl)propyl]acetamide;hydrochloride
CID 119756888
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119325005
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 146131621
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
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-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide;hydrochloride
CID 119769273
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride (CID 119786059) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is CC(C)(CNC(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
The InChIKey is IVKBTJWLZHYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O.ClH/c1-19(2,16-6-3-13(21)10-17(16)20)11-22-18(24)9-12-7-14-4-5-15(8-12)23-14;/h3,6,10,12,14-15,23H,4-5,7-9,11H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride has a molecular weight of 389.34 g/mol, XLogP of 4.22, 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-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 119786059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).