2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
Basic information
- CAS
1005065-40-6- Standard SMILES
O=C(CC1CC2CCC1C2)NCCc1ccc(Cl)cc1- InChIKey
FUSXZSSVLQIVHQ-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO
- Average molar mass
- 291.8 g/mol
- Monoisotopic mass
- 291.138992
Names & identifiers
- Preferred name
- 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
- IUPAC
- 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
Names & synonyms
MLS001233774CHEMBL1596419REGID_for_CID_4884412DTXSID001103700HMS2903O062-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-chlorophenyl)ethyl]acetamideAKOS0339639211005065-40-6SMR000590955SR-01000064735SR-01000064735-1Z26420624
Database identifiers
- CAS
1005065-40-6- PubChem CID
- 4884412
- DTXSID
DTXSID001103700- ChEMBL
CHEMBL1596419
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
Solubility29.7 [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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