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

C15H20FN3O — CID 61233906

IUPAC4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CN2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C15H20FN3O/c16-14-5-9(15(18)20)1-2-10(14)8-19-12-3-4-13(19)7-11(17)6-12/h1-2,5,11-13H,3-4,6-8,17H2,(H2,18,20)
InChIKeyDMOWOOFGMFTVHC-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.38
Rot. Bonds3

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

4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide (PubChem CID 61233906) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
PubChem CID61233906
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CN2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C15H20FN3O/c16-14-5-9(15(18)20)1-2-10(14)8-19-12-3-4-13(19)7-11(17)6-12/h1-2,5,11-13H,3-4,6-8,17H2,(H2,18,20)
InChIKeyDMOWOOFGMFTVHC-UHFFFAOYSA-N
XLogP1.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
CID 114681500
3-fluoro-4-[(4-oxo-1-pyridinyl)methyl]benzamide
CID 116622136
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
4-[(2-cyclopropylpropylamino)methyl]-3-fluorobenzamide
CID 113475198
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide (CID 61233906) is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide is NC(=O)c1ccc(CN2C3CCC2CC(N)C3)c(F)c1.
What is the InChIKey of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide?
The InChIKey is DMOWOOFGMFTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-14-5-9(15(18)20)1-2-10(14)8-19-12-3-4-13(19)7-11(17)6-12/h1-2,5,11-13H,3-4,6-8,17H2,(H2,18,20).
What are the key properties of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide?
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide has a molecular weight of 277.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 61233906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).