Basic information
- Standard SMILES
O=C(CC1(c2ccc(Cl)cc2)CCC1)Nn1nc(C(F)(F)F)c2ccccc2c1=O- InChIKey
FXAPYUDYGOLIRJ-UHFFFAOYSA-N- Molecular formula
- C21H17ClF3N3O2
- Average molar mass
- 435.8 g/mol
- Monoisotopic mass
- 435.096139
Names & identifiers
- Preferred name
- 2-[1-(4-chlorophenyl)cyclobutyl]-N-[1-oxo-4-(trifluoromethyl)phthalazin-2(1H)-yl]acetamide
- IUPAC
- 2-[1-(4-chlorophenyl)cyclobutyl]-N-[1-oxo-4-(trifluoromethyl)phthalazin-2-yl]acetamide
Names & synonyms
2-[1-(4-chlorophenyl)cyclobutyl]-N-[1-oxo-4-(trifluoromethyl)phthalazin-2(1H)-yl]acetamideSCHEMBL1785961SCHEMBL30795413
Database identifiers
- PubChem CID
- 53238201
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 715
Related reactions
1 records
Compound notes
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