Rac 5-{[(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-2-fluoro-benzoic acid ethyl ester
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)c1cc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@](C#N)(c3ccc(Cl)cc3F)[C@H]2c2cccc(Cl)c2F)ccc1F- InChIKey
JQNDTFYIOIVHEX-ULWUHOHFSA-N- Molecular formula
- C32H30Cl2F3N3O3
- Average molar mass
- 632.5 g/mol
- Monoisotopic mass
- 631.1616317
Names & identifiers
- Preferred name
- Rac 5-{[(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-2-fluoro-benzoic acid ethyl ester
- IUPAC
- ethyl 5-[[(2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-2-fluorobenzoate
Names & synonyms
SCHEMBL2152377JQNDTFYIOIVHEX-ULWUHOHFSA-Nrac 5-{[(2r,3s,4r,5s)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carbonyl]-amino}-2-fluoro-benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 59249484
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
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Related reactions
1 records
Compound notes
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