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Flecainide Acetate EP Impurity E

CAT: 1299-RM-F120805-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F120805-04Size:100 mg
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CAS Number
57415-36-8
Synonyms
N- (pyridin-2-ylmethyl) -2,5-bis (2,2,2-trifluoroethoxy) benzamide
Molecular Formula
C17H14F6N2O3
Molecular Weight
408.3
Target Alternative Name
Flecainide
Product Name Synonym
N- (pyridin-2-ylmethyl) -2,5-bis (2,2,2-trifluoroethoxy) benzamide

Chemical Information

2,5-Bis(2,2,2-trifluoroethoxy)-N-(2-pyridylmethyl)benzamide
CAS Number57415-36-8
PubChem CID93669
IUPAC NameN-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
Molecular FormulaC17H14F6N2O3
Molecular Weight408.29
XLogP3.8
Topological Polar Surface Area60.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
C1=CC=NC(=C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C17H14F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h1-7H,8-10H2,(H,25,26)
InChIKey
YCKWLOJVFNPJAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Bis(2,2,2-trifluoroethoxy)-N-(2-pyridylmethyl)benzamide
CAS: 57415-36-8
CID: 93669
Formula: C17H14F6N2O3
MW: 408.29
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight408.29
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass408.09086129
Monoisotopic Mass408.09086129
Topological Polar Surface Area60.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes