Basic information
- Standard SMILES
COc1ccc(-c2ccncc2N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1- InChIKey
XYUZEWRYAKHUHV-UHFFFAOYSA-N- Molecular formula
- C23H18F6N2O2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 468.12724679
Names & identifiers
- Preferred name
- N-[4-(4-Methoxy-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
- IUPAC
- N-[4-(4-methoxy-2-methylphenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
Names & synonyms
N-[4-(4-Methoxy-2-methyl-phenyl)-pyridin-3-yl]-N-methyl-3,5-bis-trifluoromethyl-benzamideCHEMBL5990650SCHEMBL12097373BDBM410900US10385022, Example 27
Database identifiers
- PubChem CID
- 60197296
- ChEMBL
CHEMBL5990650
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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