Basic information
- CAS
59180-53-9- Standard SMILES
CC(C)[NH2+]CC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl.[Cl-]- InChIKey
DMCGYBSXTYWXDS-UHFFFAOYSA-N- Molecular formula
- C21H24Cl3N3O3
- Average molar mass
- 472.8 g/mol
- Monoisotopic mass
- 471.088325
Names & identifiers
- Preferred name
- Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(isopropylamino)acetamido)-N-methyl-, hydrochloride
- IUPAC
- [2-[[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]amino]-2-oxoethyl]-propan-2-ylazanium chloride
Names & synonyms
59180-53-9Acetanilide, 4'-chloro-2'-(o-chlorobenzoyl)-2-(2-(isopropylamino)acetamido)-N-methyl-, hydrochloride4'-Chloro-2'-(o-chlorobenzoyl)-2-(2-(isopropylamino)acetamido)-N-methylacetanilide HClRefChem:315810
Database identifiers
- CAS
59180-53-9- PubChem CID
- 42975
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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