1-(2-chlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one
Basic information
- CAS
478031-72-0- Standard SMILES
O=C1C(=Nc2ccc(F)cc2)c2ccccc2N1Cc1ccccc1Cl- InChIKey
YMYIVWYCGMJDIE-UHFFFAOYSA-N- Molecular formula
- C21H14ClFN2O
- Average molar mass
- 364.8 g/mol
Names & identifiers
- Preferred name
- 1-(2-chlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one
- IUPAC
- 1-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-one
- English name
- 1-(2-Chlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C21H14ClFN2O
- Molecular weight
- 364.8
Names & synonyms
478031-72-01-(2-chlorobenzyl)-3-[(4-fluorophenyl)imino]-1,3-dihydro-2H-indol-2-one(3E)-1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)imino]-2,3-dihydro-1H-indol-2-one1-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)iminoindol-2-oneCDS1_001383Bionet1_003927Oprea1_041923DivK1c_002423HMS580A09AKOS0050886183M-335S2H-Indol-2-one, 1-[(2-chlorophenyl)methyl]-3-[(4-fluorophenyl)imino]-1,3-dihydro-
Database identifiers
- CAS
478031-72-0
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Boiling point
- 527.1 · 527.1±60.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.62 · 0.62±0.20(Predicted)
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Compound notes
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