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Compound
N-[2-(4-fluorophenyl)propan-2-yl]-2-oxo-4-phenylbut-3-enamide
HCID
76629641
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
CC(C)(NC(=O)C(=O)C=Cc1ccccc1)c1ccc(F)cc1
InChIKey
IZJBVRAITUVNLF-UHFFFAOYSA-N
Molecular formula
C19H18FNO2
Average molar mass
311.3 g/mol
Names & identifiers
Preferred name
N-[2-(4-fluorophenyl)propan-2-yl]-2-oxo-4-phenylbut-3-enamide
IUPAC
N-[2-(4-fluorophenyl)propan-2-yl]-2-oxo-4-phenylbut-3-enamide
Database identifiers
PubChem CID
76629641
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
46.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
444
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HRID
1546821
As product
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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