Basic information
- CAS
82872-87-5- Standard SMILES
CC1(C)OC2(C)CCC1C1C2N1C(=O)Nc1cccc(Cl)c1- InChIKey
MZELXWCWVZYPER-UHFFFAOYSA-N- Molecular formula
- C17H21ClN2O2
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.1291556
Names & identifiers
- Preferred name
- 6-Oxa-3-azatricyclo(3.2.2.0(sup 2,4))nonane-3-carboxamide, N-(3-chlorophenyl)-5,7,7-trimethyl-
- IUPAC
- N-(3-chlorophenyl)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide
Names & synonyms
82872-87-5N-(3-Chlorophenyl)-5,7,7-trimethyl-6-oxa-3-azatricyclo(3.2.2.0(sup 2,4))nonane-3-carboxamideNSC 3335286-Oxa-3-azatricyclo(3.2.2.0(sup 2,4))nonane-3-carboxamide, N-(3-chlorophenyl)-5,7,7-trimethyl-RefChem:309246NSC333528DTXSID401002986NSC-333528DS-0059506-Oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide,n-(3-chlorophenyl)-5,7,7-trimethyl-(9ci)N-(3-Chlorophenyl)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.0~2,4~]nonane-3-carboximidic acid
Database identifiers
- CAS
82872-87-5- PubChem CID
- 333271
- DTXSID
DTXSID401002986
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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