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3-(4-Dodecylanilino)-1-(4-fluorophenyl)propan-1-one (HCID 15085636)|Huagongshe
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Compound
3-(4-Dodecylanilino)-1-(4-fluorophenyl)propan-1-one
HCID
15085636
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Basic information
Standard SMILES
CCCCCCCCCCCCc1ccc(NCCC(=O)c2ccc(F)cc2)cc1
InChIKey
AZOSMWXIWGUCSR-UHFFFAOYSA-N
Molecular formula
C27H38FNO
Average molar mass
411.6 g/mol
Names & identifiers
Preferred name
3-(4-Dodecylanilino)-1-(4-fluorophenyl)propan-1-one
IUPAC
3-(4-dodecylanilino)-1-(4-fluorophenyl)propan-1-one
Database identifiers
PubChem CID
15085636
Properties
Computed structural properties
XLogP
10.1
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
16
Heavy atoms
30
Formal charge
0
Complexity
425
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
139361
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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