N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
Basic information
- CAS
848338-86-3- Standard SMILES
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1- InChIKey
DTOVKHVOFUUWNX-UHFFFAOYSA-N- Molecular formula
- C16H11FN2O3
- Average molar mass
- 298.27 g/mol
- Monoisotopic mass
- 298.07537038
Names & identifiers
- Preferred name
- N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
- IUPAC
- N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazide
Names & synonyms
N'-(4-fluorobenzoyl)-1-benzofuran-2-carbohydrazideMLS002171655CHEMBL1705222DTXSID601326871HMS3014D22AKOS017052982848338-86-3SMR001251948Z27778341
Database identifiers
- CAS
848338-86-3- PubChem CID
- 2598554
- DTXSID
DTXSID601326871- ChEMBL
CHEMBL1705222
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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