CID 39449185
PubChem CID
39449185
Structure
Molecular Formula
Status
Non-live
Molecular Weight
310.72 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-(3-chloroanilino)-N-(2,4-difluorophenyl)propanamide
InChI=1S/C15H13ClF2N2O/c1-9(19-12-4-2-3-10(16)7-12)15(21)20-14-6-5-11(17)8-13(14)18/h2-9,19H,1H3,(H,20,21)/t9-/m0/s1
CIMXIJNRZJRFMD-VIFPVBQESA-N
C[C@@H](C(=O)NC1=C(C=C(C=C1)F)F)NC2=CC(=CC=C2)Cl
C15H13ClF2N2O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
310.72 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
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
310.0684471 g/mol
Property Name
Monoisotopic Mass
Property Value
310.0684471 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
359
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