Basic information
- Standard SMILES
NC(=O)c1ccc(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)c2ncccc2F)nc1- InChIKey
VBSDWUXCRNXSHL-INIZCTEOSA-N- Molecular formula
- C20H14F4N4O2
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 418.10528835
Names & identifiers
- Preferred name
- (S)-N2-((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)pyridine-2,5-dicarboxamide
- IUPAC
- 2-N-[(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
Names & synonyms
(S)-N2-((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)pyridine-2,5-dicarboxamideSCHEMBL14332788(S)-N2-((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)pyridine-2,5-dicarboxamide
Database identifiers
- PubChem CID
- 71144005
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 610
Related reactions
2 records
Compound notes
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