Basic information
- CAS
674812-12-5- Standard SMILES
COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1- InChIKey
HTYBQJUPHIIKKP-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2N3O3
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 449.1272971
Names & identifiers
- Preferred name
- 3,5-dichloro-2-methoxy-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
- IUPAC
- 3,5-dichloro-2-methoxy-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
- English name
- 3,5-dichloro-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]-2-methoxybenzamide
- Molecular formula
- C22H25Cl2N3O3
- Molecular weight
- 450.36
Names & synonyms
3,5-dichloro-2-methoxy-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide674812-12-53,5-dichloro-N-[4-(4-isobutyryl-1-piperazinyl)phenyl]-2-methoxybenzamide3,5-dichloro-2-methoxy-N-{4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}benzamideSTK892977AKOS000465921AP-970/424447793,5-dichloro-N-(4-(4-isobutyrylpiperazin-1-yl)phenyl)-2-methoxybenzamideBenzamide, 3,5-dichloro-2-methoxy-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-
Database identifiers
- CAS
674812-12-5- PubChem CID
- 2949731
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Physicochemical properties
- Boiling point
- 579.5 · 579.5±50.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 12.32 · 12.32±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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