m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride
Basic information
- CAS
77966-53-1- Standard SMILES
CC[NH+](CC)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.[Cl-]- InChIKey
NEVMRILDXQVADV-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2F3N2O
- Average molar mass
- 345.18 g/mol
- Monoisotopic mass
- 344.067003
Names & identifiers
- Preferred name
- m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride
- IUPAC
- [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium chloride
Names & synonyms
77966-53-1C 3077m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride2'-Chloro-2-(diethylamino)-5'-trifluoromethylacetanilide, hydrochlorideAcetanilide, 2'-chloro-2-(diethylamino)-5'-trifluoromethyl-, hydrochlorideRefChem:351481[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium;chloride
Database identifiers
- CAS
77966-53-1- PubChem CID
- 53909
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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