4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

C16H21BrN2O — CID 61019144

IUPAC4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1ccc(Br)cc1)C2
InChIInChI=1S/C16H21BrN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20)
InChIKeyMLJRRELRZJRJIG-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide

4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (PubChem CID 61019144) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
PubChem CID61019144
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
SMILESCN1C2CCC1CC(CNC(=O)c1ccc(Br)cc1)C2
InChIInChI=1S/C16H21BrN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20)
InChIKeyMLJRRELRZJRJIG-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61074514
2-bromo-5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 80974574
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
2-bromo-6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 115678740
2-bromo-5-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide
CID 61017183
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
tert-butyl 3-[[(4-bromobenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 78047404
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
5-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624883

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide (CID 61019144) is 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is CN1C2CCC1CC(CNC(=O)c1ccc(Br)cc1)C2.
What is the InChIKey of 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
The InChIKey is MLJRRELRZJRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-19-14-6-7-15(19)9-11(8-14)10-18-16(20)12-2-4-13(17)5-3-12/h2-5,11,14-15H,6-10H2,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide?
4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide has a molecular weight of 337.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]benzamide is sourced from PubChem (CID 61019144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).