CID 45774725
PubChem CID
45774725
Structure
Molecular Formula
Status
Non-live
Molecular Weight
342.3 g/mol
Dates
- Create:2010-06-21
Chemical Structure Depiction
4-(difluoromethoxy)-N-(2-quinolin-8-ylethyl)benzamide
InChI=1S/C19H16F2N2O2/c20-19(21)25-16-8-6-15(7-9-16)18(24)23-12-10-14-4-1-3-13-5-2-11-22-17(13)14/h1-9,11,19H,10,12H2,(H,23,24)
LKWLEBJVZBOQHA-UHFFFAOYSA-N
C1=CC2=C(C(=C1)CCNC(=O)C3=CC=C(C=C3)OC(F)F)N=CC=C2
C19H16F2N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
342.3 g/mol
Property Name
XLogP3-AA
Property Value
4.3
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
342.11798408 g/mol
Property Name
Monoisotopic Mass
Property Value
342.11798408 g/mol
Property Name
Topological Polar Surface Area
Property Value
51.2 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
428
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
Old substance
CONTENTS