CID 44962523
PubChem CID
44962523
Structure
Molecular Formula
Status
Non-live
Molecular Weight
439.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
4-fluoro-N-[2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C21H23F2N3O3.ClH/c22-17-3-1-16(2-4-17)21(28)24-9-10-25-11-13-26(14-12-25)20(27)15-29-19-7-5-18(23)6-8-19;/h1-8H,9-15H2,(H,24,28);1H
WHQDDBBCLOPPJK-UHFFFAOYSA-N
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=C(C=C3)F.Cl
C21H24ClF2N3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
439.9 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
7
Property Name
Exact Mass
Property Value
439.1474257 g/mol
Property Name
Monoisotopic Mass
Property Value
439.1474257 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
527
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