1H-Pyrindine-1-propanamide, N-(2,6-dichlorophenyl)octahydro-, monohydrochloride, cis-
Basic information
- CAS
39494-00-3- Standard SMILES
Cl.O=C(CCN1CCC[C@@H]2CCC[C@@H]21)Nc1c(Cl)cccc1Cl- InChIKey
JPGSGQAJGHYESD-NXCSSKFKSA-N- Molecular formula
- C17H23Cl3N2O
- Average molar mass
- 377.7 g/mol
- Monoisotopic mass
- 376.087596
Names & identifiers
- Preferred name
- 1H-Pyrindine-1-propanamide, N-(2,6-dichlorophenyl)octahydro-, monohydrochloride, cis-
- IUPAC
- 3-[(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-N-(2,6-dichlorophenyl)propanamide;hydrochloride
Names & synonyms
cis-N-(2,6-Dichlorophenyl)octahydro-1H-pyrindine-1-propanamide monohydrochloride39494-00-31H-Pyrindine-1-propanamide, N-(2,6-dichlorophenyl)octahydro-, monohydrochloride, cis-RefChem:240286DTXSID10960121N-(2,6-Dichlorophenyl)-3-(octahydro-1H-cyclopenta[b]pyridin-1-yl)propanimidic acid--hydrogen chloride (1/1)N-(2,6-Dichlorophenyl)-3-[(4aS,7aS)-octahydro-1H-cyclopenta[b]pyridin-1-yl]propanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
39494-00-3- PubChem CID
- 217709
- DTXSID
DTXSID10960121
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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