2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

C17H23FN2O — CID 79611017

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(16-7-3-13(18)4-8-16)17(21)11-12-9-14-5-6-15(10-12)19-14/h3-4,7-8,12,14-15,19H,2,5-6,9-11H2,1H3
InChIKeyCJBYDESBRVTJPP-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.10
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 79611017) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID79611017
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(16-7-3-13(18)4-8-16)17(21)11-12-9-14-5-6-15(10-12)19-14/h3-4,7-8,12,14-15,19H,2,5-6,9-11H2,1H3
InChIKeyCJBYDESBRVTJPP-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorophenyl)ethanone
CID 116588289
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 65249736
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-phenyl-N-(2-phenylethyl)acetamide
CID 119753320
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 119797595
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (CID 79611017) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is CJBYDESBRVTJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-20(16-7-3-13(18)4-8-16)17(21)11-12-9-14-5-6-15(10-12)19-14/h3-4,7-8,12,14-15,19H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 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-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 79611017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).