Basic information
- Standard SMILES
CCOC(=O)N(Cc1ccccc1Cl)c1c(N)cc(N)cc1C(F)(F)F- InChIKey
VHKQEQJKTICUOQ-UHFFFAOYSA-N- Molecular formula
- C17H17ClF3N3O2
- Average molar mass
- 387.8 g/mol
- Monoisotopic mass
- 387.096139
Names & identifiers
- Preferred name
- Ethyl 2-chlorobenzyl[2,4-diamino-6-(trifluoromethyl)phenyl]carbamate
- IUPAC
- ethyl N-[(2-chlorophenyl)methyl]-N-[2,4-diamino-6-(trifluoromethyl)phenyl]carbamate
Names & synonyms
ethyl 2-chlorobenzyl[2,4-diamino-6-(trifluoromethyl)phenyl]carbamateSCHEMBL6338751
Database identifiers
- PubChem CID
- 20827733
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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