2H-indol-2-one, 3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-
Basic information
- CAS
113333-93-0- Standard SMILES
O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(F)cc1- InChIKey
IBOVMHGMLUUMEA-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
- Monoisotopic mass
- 285.08012141
Names & identifiers
- Preferred name
- 2H-indol-2-one, 3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-
- IUPAC
- 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
- English name
- 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C16H12FNO3
- Molecular weight
- 285.27
Names & synonyms
113333-93-02H-indol-2-one, 3-[2-(4-fluorophenyl)-2-oxoethyl]-1,3-dihydro-3-hydroxy-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-oneNSC621180Oprea1_116417Oprea1_684619CHEMBL2003975SCHEMBL29458120DTXSID60326899CCG-19643STK216075
Show more names
AKOS000595496AKOS016402523NSC-621180NCI60_006180EU-0010326ST51172963AE-641/09575056SR-01000482364
Database identifiers
- CAS
113333-93-0- PubChem CID
- 359734
- DTXSID
DTXSID60326899- ChEMBL
CHEMBL2003975- Nikkaji
- J1.945.605F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 165 °C · 165 °C(Solv: ethanol (64-17-5))
- Boiling point
- 535.9 · 535.9±50.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 11.4 · 11.40±0.20(Predicted)
- Comptox DTXSID
- 60326899 · DTXSID60326899
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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