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3-cyano-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

HCID 72802452
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(CC(CC=O)c1ccc(F)cc1)C(=O)c1cc(C#N)cc2c1CCCC2
InChIKey
LIPSJSGJGALTOH-UHFFFAOYSA-N
Molecular formula
C23H23FN2O2
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
3-cyano-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide
IUPAC
3-cyano-N-[2-(4-fluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxamide

Names & synonyms

SCHEMBL6002296

Database identifiers

PubChem CID
72802452

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
593

Related reactions

1 records
New reaction record
HRID 2137896 reaction equation
HRID 2137896As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes