• 
  [Synonyms]
  SPECS compound no. 11
  MLS000575613
  STOCK1S-90519
  NSC158963
  ZINC00182082
  SMR000185752
  AI-204/31750061
  N-1-naphthyl-N'-[2-(trifluoromethyl)phenyl]urea
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	330.30383 [g/mol]
  Molecular Formula	C18H13F3N2O
  XLogP	4.7
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	2
  Tautomer Count	3
  Exact Mass	330.097998
  MonoIsotopic Mass	330.097998
  Topological Polar Surface Area	41.1
  Heavy Atom Count	24
  Formal Charge	0
  Complexity	441
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 1-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]urea
  Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC=C3C(F)(F)F
  InChI: InChI=1/C18H13F3N2O/c19-18(20,
  21)14-9-3-4-10-16(14)23-17(24)22-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,
  (H2,22,23,24)/f/h22-23H