CID 44962507
PubChem CID
44962507
Structure
Molecular Formula
Status
Non-live
Molecular Weight
421.9 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
4-fluoro-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
InChI=1S/C21H24FN3O3.ClH/c22-18-8-6-17(7-9-18)21(27)23-10-11-24-12-14-25(15-13-24)20(26)16-28-19-4-2-1-3-5-19;/h1-9H,10-16H2,(H,23,27);1H
FRUYASFRIYNAAS-UHFFFAOYSA-N
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3.Cl
C21H25ClFN3O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
421.9 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
421.1568475 g/mol
Property Name
Monoisotopic Mass
Property Value
421.1568475 g/mol
Property Name
Topological Polar Surface Area
Property Value
61.9 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
497
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