Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed F   > F5016-3344
1235305-11-9 structure

F5016-3344

Iupac Name:N'-(5-chloro-2-methylphenyl)-N-[[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]methyl]oxamide
CAS No.:1235305-11-9
Molecular Weight:446.907
Molecular Formula:C22H24ClFN4O3 (isomer)
Names and Identifiers
Synonyms

AKOS024489926 MCULE-1183839009 MOLPORT-009-721-666 n1-(5-chloro-2-methylphenyl)-n2-((1-((4-fluorophenyl)carbamoyl)piperidin-4-yl)methyl)oxalamide VU0629563-1 ZINC43943936

Inchi
InChI=1S/C22H24ClFN4O3/c1-14-2-3-16(23)12-19(14)27-21(30)20(29)25-13-15-8-10-28(11-9-15)22(31)26-18-6-4-17(24)5-7-18/h2-7,12,15H,8-11,13H2,1H3,(H,25,29)(H,26,31)(H,27,30)
InChkey
NKRMJMYQGDKTNT-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)NCC2CCN(CC2)C(=O)NC3=CC=C(C=C3)F
Computational chemical data
  • Molecular Weight:446.907g/mol
  • Molecular Formula:C22H24ClFN4O3
  • Compound Is Canonicalized:True
  • Exact Mass:446.152
  • Monoisotopic Mass:446.152
  • Complexity:636
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:90.5A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHwIQAAAADQrBmCwzwIPAAACI AiVSUACCAAAhBwAIiICIZoiIYCLBk7GUIAholgLIyCcQgAAOBAAAAAICAAAIAAAABAQAAAAAAAAA AA==
 
<