N-benzyl-3-chloroadamantane-1-carboxamide
Basic information
- CAS
317375-21-6- Standard SMILES
O=C(NCc1ccccc1)C12CC3CC(CC(Cl)(C3)C1)C2- InChIKey
QJUSYSOJRKPOAM-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.138992
Names & identifiers
- Preferred name
- N-benzyl-3-chloroadamantane-1-carboxamide
- IUPAC
- N-benzyl-3-chloroadamantane-1-carboxamide
Names & synonyms
N-benzyl-3-chloroadamantane-1-carboxamide317375-21-6N-Benzyl-3-chloro-1-adamantanecarboxamideCBDivE_007583MLS000768859CHEMBL1905697DTXSID701330677HMS2801A16STL353222AKOS022136365SMR000432158AB00076166-01
Show more names
3-Chloro-adamantane-1-carboxylic acid benzylamideSR-01000200089SR-01000200089-1N-benzyl-3-chlorotricyclo[3.3.1.1~3,7~]decane-1-carboxamide(1R,3S,5R,7S)-N-BENZYL-3-CHLOROADAMANTANE-1-CARBOXAMIDE
Database identifiers
- CAS
317375-21-6- PubChem CID
- 2836076
- DTXSID
DTXSID701330677- ChEMBL
CHEMBL1905697
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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