Basic information
- Standard SMILES
CC(NC(=O)C=Cc1ccccc1F)c1cccc(Oc2ncccn2)c1- InChIKey
NDOUPELQDLAHTI-UHFFFAOYSA-N- Molecular formula
- C21H18FN3O2
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- 3-(2-fluorophenyl)-N-[1-(3-pyrimidin-2-yloxyphenyl)ethyl]prop-2-enamide
- IUPAC
- 3-(2-fluorophenyl)-N-[1-(3-pyrimidin-2-yloxyphenyl)ethyl]prop-2-enamide
Names & synonyms
SCHEMBL6498631
Database identifiers
- PubChem CID
- 69801965
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
1 records
Compound notes
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