N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide

C21H23BrN2O — CID 7223858

IUPACN-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
SMILESO=C(NC1C[C@@H]2CC[C@@H](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)/t17-,18-/m0/s1
InChIKeyGLMCDAQNMFUABE-ROUUACIJSA-N
MW399.33 g/mol
LogP4.37
Rot. Bonds4

About N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide

N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide (PubChem CID 7223858) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
PubChem CID7223858
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC NameN-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
SMILESO=C(NC1C[C@@H]2CC[C@@H](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)/t17-,18-/m0/s1
InChIKeyGLMCDAQNMFUABE-ROUUACIJSA-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

Analyze N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide with MolForge

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2,4,5-trimethoxybenzamide
CID 3059383
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 67673627
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(2-chlorophenyl)urea
CID 43813857
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 3059378
2-methyl-N-[(1S,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 51685001
2-chloro-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110280
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 70122183
N-[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-4-ethoxybenzamide
CID 98109975
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide?
The IUPAC name of N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide (CID 7223858) is N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide.
What is the SMILES notation for N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide?
The canonical SMILES for N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide is O=C(NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide?
The InChIKey is GLMCDAQNMFUABE-ROUUACIJSA-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)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide?
N-[(1S,5S)-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-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide is sourced from PubChem (CID 7223858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).