rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-2-methoxy-phenyl)-amide
Basic information
- Standard SMILES
COc1cc(C(N)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cc(F)cc(Cl)c1- InChIKey
XEVXYPNDISBPDC-UHFFFAOYSA-N- Molecular formula
- C31H31Cl2FN4O4
- Average molar mass
- 613.5 g/mol
- Monoisotopic mass
- 612.170639
Names & identifiers
- Preferred name
- rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-2-methoxy-phenyl)-amide
- IUPAC
- N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-3'-(3-chloro-5-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
Names & synonyms
XEVXYPNDISBPDC-UHFFFAOYSA-Nrac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-2-methoxy-phenyl)-amide
Database identifiers
- PubChem CID
- 75985334
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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