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N-[2-(3-chlorophenyl)-1-(4-chlorophenyl)but-3-enyl]acetamide

HCID 76834572
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC(c1cccc(Cl)c1)C(NC(C)=O)c1ccc(Cl)cc1
InChIKey
MEMBFIOCTNWUEG-UHFFFAOYSA-N
Molecular formula
C18H17Cl2NO
Average molar mass
334.2 g/mol

Names & identifiers

Preferred name
N-[2-(3-chlorophenyl)-1-(4-chlorophenyl)but-3-enyl]acetamide
IUPAC
N-[2-(3-chlorophenyl)-1-(4-chlorophenyl)but-3-enyl]acetamide

Names & synonyms

SCHEMBL23518101

Database identifiers

PubChem CID
76834572

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
379

Related reactions

2 records
New reaction record
HRID 106372 reaction equation
HRID 106372As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 179011 reaction equation
HRID 179011As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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