CID 44962441
PubChem CID
44962441
Structure
Molecular Formula
Status
Non-live
Molecular Weight
364.2 g/mol
Dates
- Create:2010-03-23
Chemical Structure Depiction
N-[2-[4-(2-chloroacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
InChI=1S/C15H19ClFN3O2.ClH/c16-11-14(21)20-9-7-19(8-10-20)6-5-18-15(22)12-1-3-13(17)4-2-12;/h1-4H,5-11H2,(H,18,22);1H
DKINGLSKUBCXDJ-UHFFFAOYSA-N
C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)F)C(=O)CCl.Cl
C15H20Cl2FN3O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
364.2 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
363.0916604 g/mol
Property Name
Monoisotopic Mass
Property Value
363.0916604 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.7 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
381
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