Basic information
- Standard SMILES
O=c1[nH]nc(Cl)c2cc(NCc3cc(F)ccc3F)ccc12- InChIKey
CYSNPYAMNKECRH-UHFFFAOYSA-N- Molecular formula
- C15H10ClF2N3O
- Average molar mass
- 321.71 g/mol
Names & identifiers
- Preferred name
- 4-chloro-6-(2,5-difluoro-benzylamino)-2H-phthalazin-1-one
- IUPAC
- 4-chloro-6-[(2,5-difluorophenyl)methylamino]-2H-phthalazin-1-one
Names & synonyms
SCHEMBL2459939CYSNPYAMNKECRH-UHFFFAOYSA-N4-chloro-6-(2,5-difluoro-benzylamino)-2H-phthalazin-1-one
Database identifiers
- PubChem CID
- 24948535
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 462
Related reactions
3 records
Compound notes
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