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

C17H24BrClN2O2 — CID 119746386

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(Br)c1
InChIInChI=1S/C17H23BrN2O2.ClH/c18-13-2-1-3-16(11-13)22-7-6-19-17(21)10-12-8-14-4-5-15(9-12)20-14;/h1-3,11-12,14-15,20H,4-10H2,(H,19,21);1H
InChIKeyGOOMBFMIFLVIOX-UHFFFAOYSA-N
MW403.75 g/mol
LogP3.29
Rot. Bonds6

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride (PubChem CID 119746386) has the molecular formula C17H24BrClN2O2 and a molecular weight of 403.75 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
PubChem CID119746386
Molecular FormulaC17H24BrClN2O2
Molecular Weight403.75 g/mol
Exact Mass402.07
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(Br)c1
InChIInChI=1S/C17H23BrN2O2.ClH/c18-13-2-1-3-16(11-13)22-7-6-19-17(21)10-12-8-14-4-5-15(9-12)20-14;/h1-3,11-12,14-15,20H,4-10H2,(H,19,21);1H
InChIKeyGOOMBFMIFLVIOX-UHFFFAOYSA-N
XLogP3.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.75
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
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-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
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-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide
CID 119900852
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
CID 119745749
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]acetamide
CID 119751157
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride (CID 119746386) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCCOc1cccc(Br)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride?
The InChIKey is GOOMBFMIFLVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2.ClH/c18-13-2-1-3-16(11-13)22-7-6-19-17(21)10-12-8-14-4-5-15(9-12)20-14;/h1-3,11-12,14-15,20H,4-10H2,(H,19,21);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-bromophenoxy)ethyl]acetamide;hydrochloride has a molecular weight of 403.75 g/mol, XLogP of 3.29, 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-bromophenoxy)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119746386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).