Basic information
- Standard SMILES
NC(=O)Cn1ccc2c(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)cccc2c1=O- InChIKey
OAPUTHQXUUXARX-UHFFFAOYSA-N- Molecular formula
- C20H15ClF3N3O3
- Average molar mass
- 437.8 g/mol
- Monoisotopic mass
- 437.0754035
Names & identifiers
- Preferred name
- N-(2-(2-Amino-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)-2-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
- IUPAC
- N-[2-(2-amino-2-oxoethyl)-1-oxoisoquinolin-5-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Names & synonyms
N-(2-(2-Amino-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)-2-(4-chloro-3-(trifluoromethyl)phenyl)acetamideSCHEMBL1589949
Database identifiers
- PubChem CID
- 24760010
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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