CID 44962520
PubChem CID
44962520
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-(4-methylphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C22H26FN3O3.ClH/c1-17-2-8-20(9-3-17)29-16-21(27)26-14-12-25(13-15-26)11-10-24-22(28)18-4-6-19(23)7-5-18;/h2-9H,10-16H2,1H3,(H,24,28);1H
GOAWAPHBZMUSOV-UHFFFAOYSA-N
CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F.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
523
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS