CID 60746419
PubChem CID
60746419
Structure
Molecular Formula
Status
Non-live
Molecular Weight
340.19 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
4-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-fluorobenzamide
InChI=1S/C14H15BrFN3O/c1-8(12-7-17-19(3)9(12)2)18-14(20)11-5-4-10(15)6-13(11)16/h4-8H,1-3H3,(H,18,20)
MYZQRNLEDZKVMC-UHFFFAOYSA-N
CC1=C(C=NN1C)C(C)NC(=O)C2=C(C=C(C=C2)Br)F
C14H15BrFN3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
340.19 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
339.03825 g/mol
Property Name
Monoisotopic Mass
Property Value
339.03825 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.9 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
357
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
Old substance
Old substance
CONTENTS