Basic information
- Standard SMILES
CCOC(=O)C1C2CCC(C2)C1NCc1ccc(F)c(Cl)c1- InChIKey
HNUUGLOJRDORBD-UHFFFAOYSA-N- Molecular formula
- C17H21ClFNO2
- Average molar mass
- 325.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[(3-chloro-4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
- IUPAC
- ethyl 3-[(3-chloro-4-fluorophenyl)methylamino]bicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
SCHEMBL4543734
Database identifiers
- PubChem CID
- 69086293
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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