N-(2,2,2-Trichloro-1-(2-chloro-5-(trifluoromethyl)anilino)ethyl)hexanamide

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Basic information

CAS: 302820-36-6
Standard SMILES: CCCCCC(=O)NC(Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl
InChIKey: KUZKGJDZLPDFAX-UHFFFAOYSA-N
Molecular formula: C15H17Cl4F3N2O
Average molar mass: 440.1 g/mol
Monoisotopic mass: 438.004708

Names & identifiers

Preferred name: N-(2,2,2-Trichloro-1-(2-chloro-5-(trifluoromethyl)anilino)ethyl)hexanamide
IUPAC: N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]hexanamide
English name: N-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]hexanamide
Molecular formula: C15H17Cl4F3N2O
Molecular weight: 440.12

Names & synonyms

STK822417AKOS005178604N-(2,2,2-TRICHLORO-1-(2-CHLORO-5-(TRIFLUOROMETHYL)ANILINO)ETHYL)HEXANAMIDEN-(2,2,2-trichloro-1-{[2-chloro-5-(trifluoromethyl)phenyl]amino}ethyl)hexanamideN-[2,2,2-trichloro-1-[2-chloro-5-(trifluoromethyl)anilino]ethyl]hexanamideHexanamide, N-[2,2,2-trichloro-1-[[2-chloro-5-(trifluoromethyl)phenyl]amino]ethyl]-

Database identifiers

CAS: 302820-36-6
PubChem CID: 4248698
EC Number: 169-301-3

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 432

Physicochemical properties

Boiling point: 513.1 · 513.1±50.0 °C(Predicted)
Density: 1.417 · 1.417±0.06 g/cm3(Predicted)
pka: 13.87 · 13.87±0.46(Predicted)

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Compound notes

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