Basic information
- Standard SMILES
Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)Nc1ccc(C#N)cn1- InChIKey
MUJDGOUNOCJELT-UHFFFAOYSA-N- Molecular formula
- C24H15Cl2F3N4O2
- Average molar mass
- 519.3 g/mol
- Monoisotopic mass
- 518.0524156
Names & identifiers
- Preferred name
- N-(5-cyano-2-pyridyl)-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methyl benzoic acid amide
- IUPAC
- N-(5-cyano-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
Names & synonyms
N-(5-cyano-2-pyridyl)-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-yl]-2-methyl benzoic acid amideSCHEMBL1796268n-(5-cyano-2-pyridyl)-4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methyl benzoic acid amide
Database identifiers
- PubChem CID
- 67164147
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 869
Related reactions
8 records
Compound notes
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