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N-[4-(3-acetamidophenyl)phenyl]-2-(1-azabicyclo[2.2.2]octan-3-yl)acetamide

HCID 21883475
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)Nc1cccc(-c2ccc(NC(=O)CC3CN4CCC3CC4)cc2)c1
InChIKey
WUSLOWKFLDCHIA-UHFFFAOYSA-N
Molecular formula
C23H27N3O2
Average molar mass
377.5 g/mol

Names & identifiers

Preferred name
N-[4-(3-acetamidophenyl)phenyl]-2-(1-azabicyclo[2.2.2]octan-3-yl)acetamide
IUPAC
N-[4-(3-acetamidophenyl)phenyl]-2-(1-azabicyclo[2.2.2]octan-3-yl)acetamide

Names & synonyms

SCHEMBL1459288

Database identifiers

PubChem CID
21883475

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
61.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Formal charge
0
Complexity
550

Related reactions

1 records
New reaction record
HRID 2162253 reaction equation
HRID 2162253As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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