N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide

C14H17BrN2O — CID 166245704

IUPACN-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide
SMILESO=C(NC1CC2CCC1NC2)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c15-11-4-2-1-3-10(11)14(18)17-13-7-9-5-6-12(13)16-8-9/h1-4,9,12-13,16H,5-8H2,(H,17,18)
InChIKeyUKEJRUFGZPQLNG-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.32
Rot. Bonds2

About N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide

N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide (PubChem CID 166245704) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide
PubChem CID166245704
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide
SMILESO=C(NC1CC2CCC1NC2)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c15-11-4-2-1-3-10(11)14(18)17-13-7-9-5-6-12(13)16-8-9/h1-4,9,12-13,16H,5-8H2,(H,17,18)
InChIKeyUKEJRUFGZPQLNG-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80662128
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CID 43066709
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
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N-(2-adamantylideneamino)-2-bromobenzamide
CID 4167138
2-amino-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 71624225
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
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CID 958830

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide?
The IUPAC name of N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide (CID 166245704) is N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide?
The canonical SMILES for N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide is O=C(NC1CC2CCC1NC2)c1ccccc1Br.
What is the InChIKey of N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide?
The InChIKey is UKEJRUFGZPQLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-11-4-2-1-3-10(11)14(18)17-13-7-9-5-6-12(13)16-8-9/h1-4,9,12-13,16H,5-8H2,(H,17,18).
What are the key properties of N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide?
N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide has a molecular weight of 309.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.2]octan-6-yl)-2-bromobenzamide is sourced from PubChem (CID 166245704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).