5-bromo-N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-methoxybenzamide
Basic information
- CAS
494757-32-3- Standard SMILES
COc1ccc(C=NNC(=O)c2cc(Br)ccc2OC)cc1Cl- InChIKey
OXYLGLRRBFTEET-UHFFFAOYSA-N- Molecular formula
- C16H14BrClN2O3
- Average molar mass
- 397.6 g/mol
- Monoisotopic mass
- 395.98763
Names & identifiers
- Preferred name
- 5-bromo-N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-methoxybenzamide
- IUPAC
- 5-bromo-N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-methoxybenzamide
- English name
- 5-bromo-N'-(3-chloro-4-methoxybenzylidene)-2-methoxybenzohydrazide
- Molecular formula
- C16H14BrClN2O3
- Molecular weight
- 397.65
Names & synonyms
5-bromo-N'-[(3-chloro-4-methoxyphenyl)methylidene]-2-methoxybenzohydrazide5-bromo-N'-(3-chloro-4-methoxybenzylidene)-2-methoxybenzohydrazide
Database identifiers
- CAS
494757-32-3- PubChem CID
- 1001807
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Density
- 1.457 · 1.457±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.389 · 11.389±0.46(predicted)
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Compound notes
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