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N-[4-[3-(4-fluorophenyl)prop-2-enoxy]-2,3,6-trimethylphenyl]formamide (HCID 73856751)|Huagongshe
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Compound
N-[4-[3-(4-fluorophenyl)prop-2-enoxy]-2,3,6-trimethylphenyl]formamide
HCID
73856751
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Notes
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1cc(OCC=Cc2ccc(F)cc2)c(C)c(C)c1NC=O
InChIKey
FJWKDEFINWBJKQ-UHFFFAOYSA-N
Molecular formula
C19H20FNO2
Average molar mass
313.4 g/mol
Names & identifiers
Preferred name
N-[4-[3-(4-fluorophenyl)prop-2-enoxy]-2,3,6-trimethylphenyl]formamide
IUPAC
N-[4-[3-(4-fluorophenyl)prop-2-enoxy]-2,3,6-trimethylphenyl]formamide
Names & synonyms
SCHEMBL4039712
Database identifiers
PubChem CID
73856751
Properties
Computed structural properties
XLogP
4.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Formal charge
0
Complexity
393
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
206881
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
315473
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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