Basic information
- Standard SMILES
N=C(N)OCCc1ccc(Oc2cc(Cl)cc(C(F)(F)F)c2)cc1- InChIKey
WFPSVFUZHFBKNY-UHFFFAOYSA-N- Molecular formula
- C16H14ClF3N2O2
- Average molar mass
- 358.74 g/mol
- Monoisotopic mass
- 358.0695899
Names & identifiers
- Preferred name
- 2-(4-{[3-Chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethyl imidocarbamate
- IUPAC
- 2-[4-[3-chloro-5-(trifluoromethyl)phenoxy]phenyl]ethyl carbamimidate
Names & synonyms
2-(4-{[3-chloro-5-(trifluoromethyl)phenyl]oxy}phenyl)ethyl imidocarbamateSCHEMBL9107800
Database identifiers
- PubChem CID
- 67775767
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Related reactions
4 records
Compound notes
Loading…