CID 44962515
PubChem CID
44962515
Structure
Molecular Formula
Status
Non-live
Molecular Weight
451.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
4-fluoro-N-[2-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C22H26FN3O4.ClH/c1-29-19-3-2-4-20(15-19)30-16-21(27)26-13-11-25(12-14-26)10-9-24-22(28)17-5-7-18(23)8-6-17;/h2-8,15H,9-14,16H2,1H3,(H,24,28);1H
XZEZXJYKWODIKX-UHFFFAOYSA-N
COC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)F.Cl
C22H27ClFN3O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
451.9 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
451.1674122 g/mol
Property Name
Monoisotopic Mass
Property Value
451.1674122 g/mol
Property Name
Topological Polar Surface Area
Property Value
71.1 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
549
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
Old substance
CONTENTS