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

C16H21FN2O — CID 79615312

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-19(15-6-2-12(17)3-7-15)16(20)10-11-8-13-4-5-14(9-11)18-13/h2-3,6-7,11,13-14,18H,4-5,8-10H2,1H3
InChIKeyKNFRYDVPEMLBSF-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.71
Rot. Bonds3

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide (PubChem CID 79615312) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
PubChem CID79615312
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O/c1-19(15-6-2-12(17)3-7-15)16(20)10-11-8-13-4-5-14(9-11)18-13/h2-3,6-7,11,13-14,18H,4-5,8-10H2,1H3
InChIKeyKNFRYDVPEMLBSF-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide 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-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 119758161
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 79610812
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(3-methylphenyl)acetamide
CID 79615458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119695313
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-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221
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-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)acetamide;hydrochloride
CID 119779579
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 119682892

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide (CID 79615312) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide is CN(C(=O)CC1CC2CCC(C1)N2)c1ccc(F)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is KNFRYDVPEMLBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-19(15-6-2-12(17)3-7-15)16(20)10-11-8-13-4-5-14(9-11)18-13/h2-3,6-7,11,13-14,18H,4-5,8-10H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 276.35 g/mol, XLogP of 2.71, 3 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-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 79615312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).