Basic information
- Standard SMILES
CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)Nc2ccc(OCC(F)F)c(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1- InChIKey
RETDSDYCEZHOHS-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2F3N3O4
- Average molar mass
- 596.4 g/mol
Names & identifiers
- Preferred name
- N-[4-(2,2-Difluoroethyl)oxy-3-(4-fluoro-3-chloro-phenyl)aminocarbonyl-phenyl]-2-chloro-5-(tert-butylcarbonylamino)methyl-benzamide
- IUPAC
- 2-chloro-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]-4-(2,2-difluoroethoxy)phenyl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide
Names & synonyms
N-[4-(2,2-Difluoroethyl)oxy-3-(4-fluoro-3-chloro-phenyl)aminocarbonyl-phenyl]-2-chloro-5-(tert-butylcarbonylamino)methyl-benzamideSCHEMBL1671896
Database identifiers
- PubChem CID
- 52919087
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 878
Related reactions
1 records
Compound notes
Loading…