3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

C16H21BrN2O — CID 65470115

IUPAC3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCN1C2CCCC1CC(NC(=O)c1cccc(Br)c1)C2
InChIInChI=1S/C16H21BrN2O/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyBMDZBBUJQKWPMO-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.19
Rot. Bonds2

About 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 65470115) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID65470115
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCN1C2CCCC1CC(NC(=O)c1cccc(Br)c1)C2
InChIInChI=1S/C16H21BrN2O/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyBMDZBBUJQKWPMO-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470268
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-bromobenzamide
CID 112728997
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65471077
2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275
3-methyl-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461469

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 65470115) is 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CN1C2CCCC1CC(NC(=O)c1cccc(Br)c1)C2.
What is the InChIKey of 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is BMDZBBUJQKWPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-19-14-6-3-7-15(19)10-13(9-14)18-16(20)11-4-2-5-12(17)8-11/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 337.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 65470115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).