2-Ethoxy-4-(2-((4-fluoroanilino)(oxo)AC)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
881445-83-6- Standard SMILES
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1- InChIKey
HUYSCQBDINVUAT-MZJWZYIUSA-N- Molecular formula
- C24H19ClFN3O5
- Average molar mass
- 483.9 g/mol
- Monoisotopic mass
- 483.0997266
Names & identifiers
- Preferred name
- 2-Ethoxy-4-(2-((4-fluoroanilino)(oxo)AC)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [2-ethoxy-4-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- 2-Ethoxy-4-(2-((4-fluoroanilino)(oxo)Ac)carbohydrazonoyl)phenyl 4-chlorobenzoate
- Molecular formula
- C24H19ClFN3O5
- Molecular weight
- 483.88
Names & synonyms
AKOS0244097692-ETHOXY-4-(2-((4-FLUOROANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATEBenzoic acid, 4-chloro-, 2-ethoxy-4-[[2-[2-[(4-fluorophenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
881445-83-6- PubChem CID
- 9688722
- EC Number
- 128-301-3
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Physicochemical properties
- Density
- 1.332 · 1.332±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.657 · 9.657±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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