N-[(E)-(4-methylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

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Basic information

CAS: 5475-77-4
Standard SMILES: Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc1
InChIKey: OATFQOGKGKQCDS-DNTJNYDQSA-N
Molecular formula: C16H13Br3N2O2
Average molar mass: 505 g/mol
Monoisotopic mass: 501.85272

Names & identifiers

Preferred name: N-[(E)-(4-methylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
IUPAC: N-[(E)-(4-methylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide

Names & synonyms

5475-77-4N-[(E)-(4-methylphenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamideN'-(4-methylbenzylidene)-2-(2,4,6-tribromophenoxy)acetohydrazideAC1NSTZFDTXSID50416854CCG-8890BIM-0021264.P001N'-[(E)-(4-Methylphenyl)methylidene]-2-(2,4,6-tribromophenoxy)acetohydrazide

Database identifiers

CAS: 5475-77-4
PubChem CID: 5339699
DTXSID: DTXSID50416854

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 402

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