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

C15H20BrN3O — CID 82810072

IUPAC4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
SMILESCN(c1ccc(C(N)=O)cc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20BrN3O/c1-19(12-7-10-3-4-11(8-12)18-10)14-5-2-9(15(17)20)6-13(14)16/h2,5-6,10-12,18H,3-4,7-8H2,1H3,(H2,17,20)
InChIKeyJFBYZLOIVDMDIA-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.27
Rot. Bonds3

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

4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide (PubChem CID 82810072) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide.

Molecular Properties

Compound Name4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
PubChem CID82810072
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide
SMILESCN(c1ccc(C(N)=O)cc1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H20BrN3O/c1-19(12-7-10-3-4-11(8-12)18-10)14-5-2-9(15(17)20)6-13(14)16/h2,5-6,10-12,18H,3-4,7-8H2,1H3,(H2,17,20)
InChIKeyJFBYZLOIVDMDIA-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((R)-(S)-8-Aza-bicyclo[3.2.1]oct-3-yl-phenyl-amino)-N,N-diethyl-benzamide
CID 9951665
4-((1R,3R,5S)-8-Aza-bicyclo[3.2.1]oct-3-yl-phenyl-amino)-N,N-dipropyl-benzamide
CID 44268460
N-[3-(2-methylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20854661
N-(2-bromophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24979720
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1245922
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 1297445
3-bromo-N-(4-{[(1-methyl-3-phenylpropyl)amino]carbonyl}phenyl)benzamide
CID 2946068
N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20854660
3-Bromo-4-(4-methylpiperazin-1-yl)benzaldehyde
CID 11323541
2-bromo-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16032425
N-(2-bromophenyl)-4-(dimethylamino)benzamide
CID 670733
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 20854671

Frequently Asked Questions

What is the IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide?
The IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide (CID 82810072) is 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide.
What is the SMILES notation for 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide?
The canonical SMILES for 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide is CN(c1ccc(C(N)=O)cc1Br)C1CC2CCC(C1)N2.
What is the InChIKey of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide?
The InChIKey is JFBYZLOIVDMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-19(12-7-10-3-4-11(8-12)18-10)14-5-2-9(15(17)20)6-13(14)16/h2,5-6,10-12,18H,3-4,7-8H2,1H3,(H2,17,20).
What are the key properties of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide?
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-bromobenzamide has a molecular weight of 338.25 g/mol, XLogP of 2.27, 3 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]-3-bromobenzamide is sourced from PubChem (CID 82810072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).