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Etofenamate EP Impurity D

CAT: 1299-RM-E200604-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E200604-01Size:10 mg
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CAS Number
64352-84-7
Synonyms
Oxybis (ethane-2,1-diyl) bis (2- ((3- (trifluoromethyl) phenyl) amino) benzoate)
Molecular Formula
C32H26F6N2O5
Molecular Weight
632.55
Target Alternative Name
Etofenamate
Product Name Synonym
Oxybis (ethane-2,1-diyl) bis (2- ((3- (trifluoromethyl) phenyl) amino) benzoate)

Chemical Information

2-(2-(2-(3-(Trifluoromethyl)anilino)benzoyl)oxyethoxy)ethyl 2-(3-(trifluoromethyl)anilino)benzoate
CAS Number64352-84-7
PubChem CID129318388
IUPAC Name2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
Molecular FormulaC32H26F6N2O5
Molecular Weight632.5
XLogP9.1
Topological Polar Surface Area85.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity863
SMILES
C1=CC=C(C(=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C32H26F6N2O5/c33-31(34,35)21-7-5-9-23(19-21)39-27-13-3-1-11-25(27)29(41)44-17-15-43-16-18-45-30(42)26-12-2-4-14-28(26)40-24-10-6-8-22(20-24)32(36,37)38/h1-14,19-20,39-40H,15-18H2
InChIKey
KKGKTVVZWJTHAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(2-(3-(Trifluoromethyl)anilino)benzoyl)oxyethoxy)ethyl 2-(3-(trifluoromethyl)anilino)benzoate
CAS: 64352-84-7
CID: 129318388
Formula: C32H26F6N2O5
MW: 632.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.5
XLogP39.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass632.17459091
Monoisotopic Mass632.17459091
Topological Polar Surface Area85.9 Ų
Heavy Atom Count45
Formal Charge0
Complexity863
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

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