Basic information
- CAS
122735-41-5- Standard SMILES
CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(NC(=O)C(F)(F)C(F)(F)F)cc1O- InChIKey
KDMHDWFQXXXYPD-UHFFFAOYSA-N- Molecular formula
- C29H36ClF5N2O4
- Average molar mass
- 607 g/mol
- Monoisotopic mass
- 606.2283761
Names & identifiers
- Preferred name
- 5'-Chloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-4'-((pentafluoropropionyl)amino)butyranilide
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[5-chloro-2-hydroxy-4-(2,2,3,3,3-pentafluoropropanoylamino)phenyl]butanamide
Names & synonyms
5'-Chloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-4'-((pentafluoropropionyl)amino)butyranilideSCHEMBL10577474KDMHDWFQXXXYPD-UHFFFAOYSA-NDTXSID001353315122735-41-5N-(5-Chloro-2-hydroxy-4-[(2,2,3,3,3-pentafluoropropanoyl)amino]phenyl)-2-(2,4-ditert-pentylphenoxy)butanamide #
Database identifiers
- CAS
122735-41-5- PubChem CID
- 609727
- DTXSID
DTXSID001353315- Nikkaji
- J1.423.978B
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 901
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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