CID 39382731
PubChem CID
39382731
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.30 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-N-(3-cyanophenyl)-2-(3-fluoroanilino)propanamide
InChI=1S/C16H14FN3O/c1-11(19-15-7-3-5-13(17)9-15)16(21)20-14-6-2-4-12(8-14)10-18/h2-9,11,19H,1H3,(H,20,21)/t11-/m0/s1
DMRFTPKXBDVEIZ-NSHDSACASA-N
C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)NC2=CC(=CC=C2)F
C16H14FN3O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.30 g/mol
Property Name
XLogP3-AA
Property Value
3
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
283.11209024 g/mol
Property Name
Monoisotopic Mass
Property Value
283.11209024 g/mol
Property Name
Topological Polar Surface Area
Property Value
64.9 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
406
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