Basic information
- CAS
514800-56-7- Standard SMILES
CCN(CC)c1ccc(C=NNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1- InChIKey
AYCVUAPKHBBCGT-UHFFFAOYSA-N- Molecular formula
- C20H21F3N4O2
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.16166041
Names & identifiers
- Preferred name
- N'-[[4-(diethylamino)phenyl]methylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
- IUPAC
- N'-[[4-(diethylamino)phenyl]methylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
- English name
- 2-{2-[4-(diethylamino)benzylidene]hydrazino}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
- Molecular formula
- C20H21F3N4O2
- Molecular weight
- 406.4
Names & synonyms
2-(2-{[4-(diethylamino)phenyl]methylidene}hydrazinyl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide2-{2-[4-(diethylamino)benzylidene]hydrazino}-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
Database identifiers
- CAS
514800-56-7- PubChem CID
- 4382209
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Density
- 1.235 · 1.235±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.847 · 9.847±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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