Basic information
- Standard SMILES
CCCc1cc(C#N)cc(Oc2c(Cl)ccc(CN)c2F)c1- InChIKey
ZNWXLDTYRNHESP-UHFFFAOYSA-N- Molecular formula
- C17H16ClFN2O
- Average molar mass
- 318.8 g/mol
Names & identifiers
- Preferred name
- 3-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-propylbenzonitrile
- IUPAC
- 3-[3-(aminomethyl)-6-chloro-2-fluorophenoxy]-5-propylbenzonitrile
Names & synonyms
SCHEMBL3034210ZNWXLDTYRNHESP-UHFFFAOYSA-N3-{[3-(aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-propylbenzonitrile
Database identifiers
- PubChem CID
- 68487553
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Related reactions
1 records
Compound notes
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