CID 48953364
PubChem CID
48953364
Structure
Molecular Formula
Status
Non-live
Molecular Weight
358.36 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N,N-dimethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
InChI=1S/C16H21F3N4O2/c1-22(2)14(24)11-4-3-5-12(8-11)20-15(25)21-13-6-7-23(9-13)10-16(17,18)19/h3-5,8,13H,6-7,9-10H2,1-2H3,(H2,20,21,25)
RUNZIXVCQJGEFQ-UHFFFAOYSA-N
CN(C)C(=O)C1=CC(=CC=C1)NC(=O)NC2CCN(C2)CC(F)(F)F
C16H21F3N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
358.36 g/mol
Property Name
XLogP3-AA
Property Value
1.7
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
4
Property Name
Exact Mass
Property Value
358.16166041 g/mol
Property Name
Monoisotopic Mass
Property Value
358.16166041 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.7 A^2
Property Name
Heavy Atom Count
Property Value
25
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
484
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
1
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS