Basic information
- CAS
701248-18-2- Standard SMILES
O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1ccc(F)cc1- InChIKey
XKFHSFUEFMEKCM-UHFFFAOYSA-N- Molecular formula
- C19H17FN2O3
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.12232057
Names & identifiers
- Preferred name
- 4-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]butanamide
- IUPAC
- 4-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]butanamide
Names & synonyms
4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(4-fluorobenzyl)butanamide4-(1,3-dioxoisoindol-2-yl)-N-[(4-fluorophenyl)methyl]butanamideMLS000974243CHEMBL1412275DTXSID701326979HMS2830H13STK215478AKOS001309739701248-18-2SMR000497917Z267802504-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[(4-fluorophenyl)methyl]butanamide
Database identifiers
- CAS
701248-18-2- PubChem CID
- 974845
- DTXSID
DTXSID701326979- ChEMBL
CHEMBL1412275
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
Experimental & physicochemical properties
Solubility47.8 [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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