N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide

C21H23BrN2O — CID 3217790

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C21H23BrN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25)
InChIKeyGLMCDAQNMFUABE-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.37
Rot. Bonds4

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide (PubChem CID 3217790) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide
PubChem CID3217790
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C21H23BrN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25)
InChIKeyGLMCDAQNMFUABE-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide (CID 3217790) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide?
The InChIKey is GLMCDAQNMFUABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O/c22-20-9-5-4-8-19(20)21(25)23-16-12-17-10-11-18(13-16)24(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,25).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide has a molecular weight of 399.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-bromobenzamide is sourced from PubChem (CID 3217790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).