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5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-prop-2-enylpiperidin-2-one

HCID 76834780
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CCC1CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(CC2CC2)C1=O
InChIKey
HYAJCCILTGTYOE-UHFFFAOYSA-N
Molecular formula
C24H25Cl2NO
Average molar mass
414.4 g/mol

Names & identifiers

Preferred name
5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-prop-2-enylpiperidin-2-one
IUPAC
5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-3-prop-2-enylpiperidin-2-one

Database identifiers

PubChem CID
76834780

Properties

Computed structural propertiesFilling in

XLogP
6.2
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
555

Related reactions

2 records
New reaction record
HRID 808359 reaction equation
HRID 808359As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 838606 reaction equation
HRID 838606As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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