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5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one (HCID 76834838)|Huagongshe
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Compound
5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
HCID
76834838
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)NC1=O
InChIKey
AKQJKRTYNBTHIU-UHFFFAOYSA-N
Molecular formula
C21H21Cl2NO
Average molar mass
374.3 g/mol
Monoisotopic mass
373.1000197
Names & identifiers
Preferred name
5-(3-Chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
IUPAC
5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enylpiperidin-2-one
Names & synonyms
SCHEMBL32687159
Database identifiers
PubChem CID
76834838
Properties
Computed structural properties
XLogP
5.6
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
488
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Related reactions
7 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
826220
As product
Test data from https://doi.org/10.1039/C8SC04228D
HRID
942140
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1203379
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
2147827
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2150894
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2158526
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2325114
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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Compound notes
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