4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide

C16H22FN3O — CID 61232434

IUPAC4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
SMILESCN(Cc1ccc(C(N)=O)cc1F)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22FN3O/c1-20(14-7-12-4-5-13(8-14)19-12)9-11-3-2-10(16(18)21)6-15(11)17/h2-3,6,12-14,19H,4-5,7-9H2,1H3,(H2,18,21)
InChIKeyDWSRUDMMWKPTBY-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.64
Rot. Bonds4

About 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide

4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide (PubChem CID 61232434) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
PubChem CID61232434
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
SMILESCN(Cc1ccc(C(N)=O)cc1F)C1CC2CCC(C1)N2
InChIInChI=1S/C16H22FN3O/c1-20(14-7-12-4-5-13(8-14)19-12)9-11-3-2-10(16(18)21)6-15(11)17/h2-3,6,12-14,19H,4-5,7-9H2,1H3,(H2,18,21)
InChIKeyDWSRUDMMWKPTBY-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
CID 63642494
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
CID 82810072
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
3-fluoro-N'-hydroxy-4-[[methyl-(3-methylcyclohexyl)amino]methyl]benzenecarboximidamide
CID 76904288
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
CID 99850402
N-[(2-bromo-6-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 120836431
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
CID 62021395
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236839
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836

Frequently Asked Questions

What is the IUPAC name of 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide?
The IUPAC name of 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide (CID 61232434) is 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide is CN(Cc1ccc(C(N)=O)cc1F)C1CC2CCC(C1)N2.
What is the InChIKey of 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide?
The InChIKey is DWSRUDMMWKPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-20(14-7-12-4-5-13(8-14)19-12)9-11-3-2-10(16(18)21)6-15(11)17/h2-3,6,12-14,19H,4-5,7-9H2,1H3,(H2,18,21).
What are the key properties of 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide?
4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide has a molecular weight of 291.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide is sourced from PubChem (CID 61232434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).