rac-(2S,3R,4S,5R)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-2-(2,2-dimethyl-propyl)-5-(3-hydroxy-azetidine-1-carbonyl)-pyrrolidine-3-carbonitrile

HCID 68617023
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Basic information

Standard SMILES
CC(C)(C)CC1NC(C(=O)N2CC(O)C2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey
ATPZZNILVJKCCP-UHFFFAOYSA-N
Molecular formula
C26H27Cl2F2N3O2
Average molar mass
522.4 g/mol
Monoisotopic mass
521.1448388

Names & identifiers

Preferred name
rac-(2S,3R,4S,5R)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-2-(2,2-dimethyl-propyl)-5-(3-hydroxy-azetidine-1-carbonyl)-pyrrolidine-3-carbonitrile
IUPAC
4-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-2-(2,2-dimethylpropyl)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidine-3-carbonitrile

Names & synonyms

SCHEMBL3372123ATPZZNILVJKCCP-UHFFFAOYSA-Nrac-(2S,3R,4S,5R)-4-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-2-(2,2-dimethyl-propyl)-5-(3-hydroxy-azetidine-1-carbonyl)-pyrrolidine-3-carbonitrile

Database identifiers

PubChem CID
68617023

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
76.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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