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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-004-233-864
923116-85-2 structure

MOLPORT-004-233-864

Iupac Name:N-(4-chloro-2-fluorophenyl)-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CAS No.:923116-85-2
Molecular Weight:367.805
Molecular Formula:C17H19ClFN3O3 (isomer)
Names and Identifiers
Synonyms

MCULE-4179133192 n-(4-chloro-2-fluorophenyl)-4-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}butanamide Z87546781 ZINC23641611

Inchi
InChI=1S/C17H19ClFN3O3/c18-11-5-6-13(12(19)10-11)20-14(23)4-3-9-22-15(24)17(21-16(22)25)7-1-2-8-17/h5-6,10H,1-4,7-9H2,(H,20,23)(H,21,25)
InChkey
ZDWHLURLNQXRMZ-UHFFFAOYSA-N
Canonical Smiles
C1CCC2(C1)C(=O)N(C(=O)N2)CCCC(=O)NC3=C(C=C(C=C3)Cl)F
Computational chemical data
  • Molecular Weight:367.805g/mol
  • Molecular Formula:C17H19ClFN3O3
  • Compound Is Canonicalized:True
  • Exact Mass:367.11
  • Monoisotopic Mass:367.11
  • Complexity:553
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:78.5A^2
  • Heavy Atom Count:25
  • 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: AAADceB7MQAEAAAAAAAAAAAAAAAAAeIAAAAwAAAAAAAAAAABAAAAHwIQAAAADIrBkCwxwIPAAACI ACVSUACCAAAhBwAIiAGIZoiIYDLBk7GUIAholyLIyAccCAAOAABAAAAAAAAAAIAAAAAAAAAAAAAA AA==
 
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