CID 47313015
PubChem CID
47313015
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.29 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(1,4-dioxan-2-ylmethyl)-3-(4-fluorophenoxy)propanamide
InChI=1S/C14H18FNO4/c15-11-1-3-12(4-2-11)19-6-5-14(17)16-9-13-10-18-7-8-20-13/h1-4,13H,5-10H2,(H,16,17)
VQCLMVRWOOOCIK-UHFFFAOYSA-N
C1COC(CO1)CNC(=O)CCOC2=CC=C(C=C2)F
C14H18FNO4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.29 g/mol
Property Name
XLogP3-AA
Property Value
0.8
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
283.12198622 g/mol
Property Name
Monoisotopic Mass
Property Value
283.12198622 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.8 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
295
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
1
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
CONTENTS