N-(4-CL-Phenyl)-2-(((2-(3-methoxybenzylidene)hydrazino)(oxo)AC)amino)benzamide
Basic information
- CAS
880059-96-1- Standard SMILES
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1- InChIKey
CXMBXNUWYCOBJJ-AFUMVMLFSA-N- Molecular formula
- C23H19ClN4O4
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.1094828
Names & identifiers
- Preferred name
- N-(4-CL-Phenyl)-2-(((2-(3-methoxybenzylidene)hydrazino)(oxo)AC)amino)benzamide
- IUPAC
- N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(E)-(3-methoxyphenyl)methylideneamino]oxamide
- English name
- N-(4-Cl-phenyl)-2-(((2-(3-methoxybenzylidene)hydrazino)(oxo)Ac)amino)benzamide
- Molecular formula
- C23H19ClN4O4
- Molecular weight
- 450.88
Names & synonyms
AKOS024399577N-(4-CL-PHENYL)-2-(((2-(3-METHOXYBENZYLIDENE)HYDRAZINO)(OXO)AC)AMINO)BENZAMIDEAcetic acid, 2-[[2-[[(4-chlorophenyl)amino]carbonyl]phenyl]amino]-2-oxo-, 2-[(3-methoxyphenyl)methylene]hydrazide
Database identifiers
- CAS
880059-96-1- PubChem CID
- 9605533
- EC Number
- 145-907-3
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 681
Physicochemical properties
- Density
- 1.316 · 1.316±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.906 · 9.906±0.46(predicted)
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Compound notes
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