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

C17H23FN2O — CID 119459069

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O/c1-11(8-12-4-2-3-5-16(12)18)17(21)20-15-9-13-6-7-14(10-15)19-13/h2-5,11,13-15,19H,6-10H2,1H3,(H,20,21)
InChIKeyTZUDSAOEVIDYQG-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.40
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 119459069) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
PubChem CID119459069
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide
SMILESCC(Cc1ccccc1F)C(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C17H23FN2O/c1-11(8-12-4-2-3-5-16(12)18)17(21)20-15-9-13-6-7-14(10-15)19-13/h2-5,11,13-15,19H,6-10H2,1H3,(H,20,21)
InChIKeyTZUDSAOEVIDYQG-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)butanamide;hydrochloride
CID 119459616
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-fluorophenyl)acetamide
CID 21132354
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanamide
CID 115736861
3-(2-fluorophenyl)-2-methylpropanethioic S-acid
CID 139753124
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methyl-3-phenylpentanamide
CID 119455463
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
3-(2-fluorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493132
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-benzyl-4-phenylbutanamide
CID 119457922

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide (CID 119459069) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide is CC(Cc1ccccc1F)C(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is TZUDSAOEVIDYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-11(8-12-4-2-3-5-16(12)18)17(21)20-15-9-13-6-7-14(10-15)19-13/h2-5,11,13-15,19H,6-10H2,1H3,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 290.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 119459069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).