4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

C16H21BrN2O2 — CID 65471077

IUPAC4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCN1C2CCCC1CC(NC(=O)c1ccc(Br)cc1O)C2
InChIInChI=1S/C16H21BrN2O2/c1-19-12-3-2-4-13(19)9-11(8-12)18-16(21)14-6-5-10(17)7-15(14)20/h5-7,11-13,20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyHEEWMAVTGPDXDJ-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.90
Rot. Bonds2

About 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide

4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (PubChem CID 65471077) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
PubChem CID65471077
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
SMILESCN1C2CCCC1CC(NC(=O)c1ccc(Br)cc1O)C2
InChIInChI=1S/C16H21BrN2O2/c1-19-12-3-2-4-13(19)9-11(8-12)18-16(21)14-6-5-10(17)7-15(14)20/h5-7,11-13,20H,2-4,8-9H2,1H3,(H,18,21)
InChIKeyHEEWMAVTGPDXDJ-UHFFFAOYSA-N
XLogP2.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 79706556
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-pyrrole-2-carboxamide
CID 65470309
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
4-bromo-2-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 113346668
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
4-bromo-3-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 80998387
4-bromo-3-fluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65472784
4-bromo-2-hydroxy-N-(2-methylcyclohexyl)benzamide
CID 63524339
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide (CID 65471077) is 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is CN1C2CCCC1CC(NC(=O)c1ccc(Br)cc1O)C2.
What is the InChIKey of 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
The InChIKey is HEEWMAVTGPDXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-19-12-3-2-4-13(19)9-11(8-12)18-16(21)14-6-5-10(17)7-15(14)20/h5-7,11-13,20H,2-4,8-9H2,1H3,(H,18,21).
What are the key properties of 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide?
4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide has a molecular weight of 353.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide is sourced from PubChem (CID 65471077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).