CID 39387549
PubChem CID
39387549
Structure
Molecular Formula
Status
Non-live
Molecular Weight
286.34 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propanamide
InChI=1S/C17H19FN2O/c1-11-7-8-16(9-12(11)2)20-17(21)13(3)19-15-6-4-5-14(18)10-15/h4-10,13,19H,1-3H3,(H,20,21)/t13-/m0/s1
CLWVADWSQPZQGM-ZDUSSCGKSA-N
CC1=C(C=C(C=C1)NC(=O)[C@H](C)NC2=CC(=CC=C2)F)C
C17H19FN2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
286.34 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
286.14814140 g/mol
Property Name
Monoisotopic Mass
Property Value
286.14814140 g/mol
Property Name
Topological Polar Surface Area
Property Value
41.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
350
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
CONTENTS