m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride
Basic information
- CAS
77966-52-0- Standard SMILES
CC[NH+](CC)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.[Cl-]- InChIKey
SGXGAHWSAWSKFR-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2F3N2O
- Average molar mass
- 345.18 g/mol
- Monoisotopic mass
- 344.067003
Names & identifiers
- Preferred name
- m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride
- IUPAC
- [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium chloride
Names & synonyms
77966-52-0C 3074m-Acetotoluidide, 4'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride4'-Chloro-2-(diethylamino)-3'-trifluoromethylacetanilide, hydrochlorideAcetanilide, 4'-chloro-2-(diethylamino)-3'-trifluoromethyl-, hydrochlorideRefChem:351480[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium;chloride
Database identifiers
- CAS
77966-52-0- PubChem CID
- 53907
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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