2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
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Basic information
- CAS
359915-59-6- Standard SMILES
CC(=NNC(=O)Cn1nc2ccccc2n1)c1ccc(F)cc1- InChIKey
JBISZSWLSDHZHM-UHFFFAOYSA-N- Molecular formula
- C16H14FN5O
- Average molar mass
- 311.31 g/mol
- Monoisotopic mass
- 311.11823825
Names & identifiers
- Preferred name
- 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
- IUPAC
- 2-(benzotriazol-2-yl)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
- English name
- 2-(2H-1,2,3-benzotriazol-2-yl)-N'-[1-(4-fluorophenyl)ethylidene]acetohydrazide
- Molecular formula
- C16H14FN5O
- Molecular weight
- 311.31
Names & synonyms
HMS2532C04ZINC046386202-(2H-1,2,3-benzotriazol-2-yl)-N'-[1-(4-fluorophenyl)ethylidene]acetohydrazide
Database identifiers
- CAS
359915-59-6- PubChem CID
- 1219352
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Density
- 1.333 · 1.333±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.124 · 11.124±0.46(predicted)
Related reactions
0 records
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Compound notes
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