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5,5-bis(3-fluorophenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

HCID 54476985
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 196694 reaction equation
HRID 196694As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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