N-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide


Chemical Name: N-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-3,5-bis(trifluoromethyl)benzamide
CAS Number: 285986-88-1
Product Number: AG002VT2(AGN-PC-05ZRWP)
Synonyms:
MDL No: MFCD01566719
Molecular Formula: C18H13ClF6N2O3
Molecular Weight: 454.7508

Identification/Properties


Properties
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Solubility:
DMSO: soluble5mg/mL, clear (warmed)
Computed Properties
Molecular Weight:
454.753g/mol
XLogP3:
4.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
5
Exact Mass:
454.052g/mol
Monoisotopic Mass:
454.052g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
586
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



The compound Benzamide, N-[2-[(4-chlorophenyl)amino]-1-methyl-2-oxoethoxy]-3,5-bis(trifluoromethyl) is a versatile molecule widely used in chemical synthesis. Its unique structure containing a benzamide group, a chlorophenylamino moiety, and multiple trifluoromethyl groups make it an ideal building block for creating complex organic compounds. In chemical synthesis, this compound serves as a key intermediate for the formation of various pharmaceuticals, agrochemicals, and other specialty chemicals. Its functionality allows for selective reactions and efficient transformations, making it a valuable tool for organic chemists seeking to design and synthesize novel molecules with specific properties and applications.