Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)Nc2cc(F)c(C(=O)O)cc2F)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F- InChIKey
AGEJVWHWKNZCAV-UHFFFAOYSA-N- Molecular formula
- C30H25Cl2F4N3O3
- Average molar mass
- 622.4 g/mol
- Monoisotopic mass
- 621.1209097
Names & identifiers
- Preferred name
- 4-[[3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-2,5-difluorobenzoic acid
- IUPAC
- 4-[[3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]-2,5-difluorobenzoic acid
Database identifiers
- PubChem CID
- 76021752
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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