Basic information
- CAS
120570-08-3- Standard SMILES
O=C(N[C@@H]1CN2CCC1CC2)c1cccc(Cl)c1- InChIKey
NFCKUDVYRHEVOM-CYBMUJFWSA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- N-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamide
- IUPAC
- N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide
Names & synonyms
120570-08-3N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-3-chlorobenzamideN-(3S)-1-Azabicyclo(2.2.2)oct-3-yl-3-chlorobenzamideRefChem:361516N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-chlorobenzamide(S)-3-Chloro-N-(quinuclidin-3-yl)benzamideSCHEMBL7293857DTXSID201219759
Database identifiers
- CAS
120570-08-3- PubChem CID
- 726985
- DTXSID
DTXSID201219759
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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