Basic information
- CAS
384358-66-1- Standard SMILES
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1F- InChIKey
VSMQSUVRUZWDCC-SRZZPIQSSA-N- Molecular formula
- C18H14ClFN4O
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.0840169
Names & identifiers
- Preferred name
- N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
- IUPAC
- N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
Names & synonyms
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-fluorobenzohydrazideN-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide384358-66-1MLS001044413CHEMBL3210865DTXSID801327299STK745642AKOS005527440SMR000424772ST028366(E)-N'-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)-2-fluorobenzohydrazide2-Fluoro-benzoic acid [1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-hydrazide
Show more names
N-[(1E)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-azavinyl](2-fluorophenyl) carboxamide
Database identifiers
- CAS
384358-66-1- PubChem CID
- 6865415
- DTXSID
DTXSID801327299- ChEMBL
CHEMBL3210865
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
Solubility2.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…