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Safinamide Impurity 1

CAT: 1299-RM-S061427-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S061427-01Size:10 mg
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CAS Number
1000370-27-3
Synonyms
(S) -2- ((3- (3-fluorobenzyl) -4- ((3-fluorobenzyl) oxy) benzyl) amino) propanamide
Molecular Formula
C24H24F2N2O2
Molecular Weight
410.47
Target Alternative Name
Safinamide
Product Name Synonym
(S) -2- ((3- (3-fluorobenzyl) -4- ((3-fluorobenzyl) oxy) benzyl) amino) propanamide

Chemical Information

(S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide
CAS Number1000370-27-3
PubChem CID57745328
IUPAC Name(2S)-2-[[4-[(3-fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]phenyl]methylamino]propanamide
Molecular FormulaC24H24F2N2O2
Molecular Weight410.5
XLogP4.2
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity535
SMILES
C[C@@H](C(=O)N)NCC1=CC(=C(C=C1)OCC2=CC(=CC=C2)F)CC3=CC(=CC=C3)F
InChI
InChI=1S/C24H24F2N2O2/c1-16(24(27)29)28-14-18-8-9-23(30-15-19-5-3-7-22(26)13-19)20(11-18)10-17-4-2-6-21(25)12-17/h2-9,11-13,16,28H,10,14-15H2,1H3,(H2,27,29)/t16-/m0/s1
InChIKey
UMTZZFVIHQNLBC-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((3-(3-Fluorobenzyl)-4-((3-fluorobenzyl)oxy)benzyl)amino)propanamide
CAS: 1000370-27-3
CID: 57745328
Formula: C24H24F2N2O2
MW: 410.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass410.18058434
Monoisotopic Mass410.18058434
Topological Polar Surface Area64.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity535
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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