Basic information
- CAS
700857-81-4- Standard SMILES
Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C- InChIKey
ZDECKDUKCKEVJL-UHFFFAOYSA-N- Molecular formula
- C23H20ClNO3
- Average molar mass
- 393.9 g/mol
Names & identifiers
- Preferred name
- 2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
- IUPAC
- 2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide
- English name
- 2-chloro-N-{4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}benzamide
- Molecular formula
- C23H20ClNO3
- Molecular weight
- 393.86
Names & synonyms
2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]benzamide2-chloro-N-{4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}benzamideSTK258217AKOS003317156AK-918/42028614700857-81-4Benzamide, 2-chloro-N-[4-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl]-
Database identifiers
- CAS
700857-81-4
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 515.9 · 515.9±50.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- pka
- 12.16 · 12.16±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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