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Compound
5,5-bis(3-fluorophenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
HCID
54476985
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Basic information
Standard SMILES
O=C(C=CC=C(c1cccc(F)c1)c1cccc(F)c1)NCCCCc1cccnc1
InChIKey
XMGXYXVSTYXTSE-UHFFFAOYSA-N
Molecular formula
C26H24F2N2O
Average molar mass
418.5 g/mol
Names & identifiers
Preferred name
5,5-bis(3-fluorophenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
IUPAC
5,5-bis(3-fluorophenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
Names & synonyms
SCHEMBL9519883
Database identifiers
PubChem CID
54476985
Properties
Computed structural properties
XLogP
6
Topological polar surface area
42 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
31
Formal charge
0
Complexity
582
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Related reactions
1 records
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As solvent
HRID
196694
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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