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Basic information
- Standard SMILES
CC(C)(CCCc1cccnc1)NC(=O)/C=C/C=C(c1cccc(F)c1)c1cccc(F)c1- InChIKey
IEZSDADMNRGSKD-PJQLUOCWSA-N- Molecular formula
- C28H28F2N2O
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.21696985
Names & identifiers
- Preferred name
- (E)-5,5-bis(3-fluorophenyl)-N-[1,1-dimethyl-4-(3-pyridinyl)butyl]-2,4-pentadienamide
- IUPAC
- (2E)-5,5-bis(3-fluorophenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide
Names & synonyms
SCHEMBL9521096IEZSDADMNRGSKD-PJQLUOCWSA-N(E)-5,5-bis(3-fluorophenyl)-N-[1,1-dimethyl-4-(3-pyridinyl)butyl]-2,4-pentadienamide(E)-5,5-bis(3-fluorophenyl)-N-[l,1-dimethyl-4-(3-pyridinyl)butyl]-2,4-pentadienamide
Database identifiers
- PubChem CID
- 14347331
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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