CID 47444900
PubChem CID
47444900
Structure
Molecular Formula
Status
Non-live
Molecular Weight
270.27 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-(5-acetamido-2,4-difluorophenyl)-3-methylbutanamide
InChI=1S/C13H16F2N2O2/c1-7(2)4-13(19)17-12-6-11(16-8(3)18)9(14)5-10(12)15/h5-7H,4H2,1-3H3,(H,16,18)(H,17,19)
POEJHVCARDYQQU-UHFFFAOYSA-N
CC(C)CC(=O)NC1=C(C=C(C(=C1)NC(=O)C)F)F
C13H16F2N2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
270.27 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
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
270.11798408 g/mol
Property Name
Monoisotopic Mass
Property Value
270.11798408 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.2 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
337
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS