2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride

C18H26ClFN2O2 — CID 119774842

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC2CC3CCC(C2)N3)cc1F.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-23-17-5-2-12(10-16(17)19)6-7-20-18(22)11-13-8-14-3-4-15(9-13)21-14;/h2,5,10,13-15,21H,3-4,6-9,11H2,1H3,(H,20,22);1H
InChIKeyMEHXJZZLMHNJFP-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.84
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119774842) has the molecular formula C18H26ClFN2O2 and a molecular weight of 356.87 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119774842
Molecular FormulaC18H26ClFN2O2
Molecular Weight356.87 g/mol
Exact Mass356.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)CC2CC3CCC(C2)N3)cc1F.Cl
InChIInChI=1S/C18H25FN2O2.ClH/c1-23-17-5-2-12(10-16(17)19)6-7-20-18(22)11-13-8-14-3-4-15(9-13)21-14;/h2,5,10,13-15,21H,3-4,6-9,11H2,1H3,(H,20,22);1H
InChIKeyMEHXJZZLMHNJFP-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)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-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 119754660
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119774826
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119774829
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158297

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride (CID 119774842) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride is COc1ccc(CCNC(=O)CC2CC3CCC(C2)N3)cc1F.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is MEHXJZZLMHNJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2.ClH/c1-23-17-5-2-12(10-16(17)19)6-7-20-18(22)11-13-8-14-3-4-15(9-13)21-14;/h2,5,10,13-15,21H,3-4,6-9,11H2,1H3,(H,20,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.84, 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-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119774842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).