2-(((2-(4-CL-3-Nitrobenzylidene)hydrazino)(oxo)AC)amino)-N-(4-ME-PH)benzamide
Basic information
- CAS
880059-67-6- Standard SMILES
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1- InChIKey
DAVPJEIQQCTFFB-DHRITJCHSA-N- Molecular formula
- C23H18ClN5O5
- Average molar mass
- 479.9 g/mol
- Monoisotopic mass
- 479.0996464
Names & identifiers
- Preferred name
- 2-(((2-(4-CL-3-Nitrobenzylidene)hydrazino)(oxo)AC)amino)-N-(4-ME-PH)benzamide
- IUPAC
- N'-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-N-[2-[(4-methylphenyl)carbamoyl]phenyl]oxamide
- English name
- 2-(((2-(4-Cl-3-nitrobenzylidene)hydrazino)(oxo)Ac)amino)-N-(4-Me-Ph)benzamide
- Molecular formula
- C23H18ClN5O5
- Molecular weight
- 479.87
Names & synonyms
AKOS0243995762-(((2-(4-CL-3-NITROBENZYLIDENE)HYDRAZINO)(OXO)AC)AMINO)-N-(4-ME-PH)BENZAMIDEAcetic acid, 2-[[2-[[(4-methylphenyl)amino]carbonyl]phenyl]amino]-2-oxo-, 2-[(4-chloro-3-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
880059-67-6- PubChem CID
- 9605532
- EC Number
- 145-904-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 780
Physicochemical properties
- Density
- 1.406 · 1.406±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.356 · 9.356±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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