Basic information
- CAS
848284-83-3- Standard SMILES
O=C(CNC(=O)c1ccccc1F)OCC(=O)c1c[nH]c2ccccc12- InChIKey
OZIOKSGPACWEKC-UHFFFAOYSA-N- Molecular formula
- C19H15FN2O4
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.10158513
Names & identifiers
- Preferred name
- [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
- IUPAC
- [2-(1H-indol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
Names & synonyms
[2-(1H-indol-3-yl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate848284-83-3MLS002251504CHEMBL1735835DTXSID201327322HMS3054H10AKOS033666900SMR001313899Z192398442-(1H-Indol-3-yl)-2-oxoethyl N-(2-fluorobenzoyl)glycinate
Database identifiers
- CAS
848284-83-3- PubChem CID
- 2602001
- DTXSID
DTXSID201327322- ChEMBL
CHEMBL1735835
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Solubility43 [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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