CID 52393819
PubChem CID
52393819
Structure
Molecular Formula
Status
Non-live
Molecular Weight
295.37 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrrolidin-1-ium-1-ylacetamide
InChI=1S/C16H23FN2O2/c1-2-19(16(20)13-18-9-5-6-10-18)11-12-21-15-8-4-3-7-14(15)17/h3-4,7-8H,2,5-6,9-13H2,1H3/p+1
NSWHMQNXYJOIKA-UHFFFAOYSA-O
CCN(CCOC1=CC=CC=C1F)C(=O)C[NH+]2CCCC2
C16H24FN2O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
295.37 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
295.18218117 g/mol
Property Name
Monoisotopic Mass
Property Value
295.18218117 g/mol
Property Name
Topological Polar Surface Area
Property Value
34 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
321
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS