CID 44962510
PubChem CID
44962510
Structure
Molecular Formula
Status
Non-live
Molecular Weight
435.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
4-fluoro-N-[2-[4-(2-phenoxypropanoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C22H26FN3O3.ClH/c1-17(29-20-5-3-2-4-6-20)22(28)26-15-13-25(14-16-26)12-11-24-21(27)18-7-9-19(23)10-8-18;/h2-10,17H,11-16H2,1H3,(H,24,27);1H
RWBSRXDZZYHUFB-UHFFFAOYSA-N
CC(C(=O)N1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)F)OC3=CC=CC=C3.Cl
C22H27ClFN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
435.9 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
435.1724976 g/mol
Property Name
Monoisotopic Mass
Property Value
435.1724976 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.9 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
525
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS