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racemic (2'S,3S,4'R)-1'-(aminocarbonyl-methyl)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

HCID 76568085
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Basic information

Standard SMILES
Cc1ccc(F)cc1C1CC(=O)N(CC(N)=O)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12
InChIKey
DOZOWRIEUVDEOI-UHFFFAOYSA-N
Molecular formula
C27H22Cl2FN3O3
Average molar mass
526.4 g/mol

Names & identifiers

Preferred name
racemic (2'S,3S,4'R)-1'-(aminocarbonyl-methyl)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
IUPAC
2-[6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-1'-yl]acetamide

Names & synonyms

DOZOWRIEUVDEOI-UHFFFAOYSA-Nracemic (2'S,3S,4'R) -1'-(aminocarbonyl-methyl)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneracemic (2'S,3S,4'R)-1'-(aminocarbonyl-methyl)-6-chloro-2'-(3-chlorophenyl)-4'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

Database identifiers

PubChem CID
76568085

Properties

Computed structural propertiesFilling in

XLogP
3.8
Topological polar surface area
92.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
36
Formal charge
0
Complexity
892

Related reactions

2 records
New reaction record
HRID 1206841 reaction equation
HRID 1206841As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1728083 reaction equation
HRID 1728083As productuspto-grants-2009_02

Compound notes

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