chempirical

Metaflumizone

C24H16F6N4O2CAS 139968-49-3506.41 g/mol

Open in Covalent MOL file
NNNHOHNOFFFFFF
Alkyl halideEtherImineNitrile

Properties

Molecular formula
C24H16F6N4O2
Molar mass
506.41 g/mol
Exact mass
506.1177 Da
logP
6.45Crippen estimate
Polar surface area
90.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
139968-49-3
SMILES
N#Cc1ccc(CC(=NN=C(O)Nc2ccc(OC(F)(F)F)cc2)c2cccc(C(F)(F)F)c2)cc1
InChIKey
MIFOMMKAVSCNKQ-UHFFFAOYSA-N
InChI
InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)

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Names and synonyms

12 names
  • Hydrazinecarboxamide, 2-[2-(4-cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]-
  • 2-[2-(4-Cyanophenyl)-1-[3-(trifluoromethyl)phenyl]ethylidene]-N-[4-(trifluoromethoxy)phenyl]hydrazinecarboxamide
  • BAS 320I
  • BAS 320021
  • BASF 320
  • BAS 320
  • NNI 0250
  • Alverde
  • BAS 32001
  • Altrevin
  • BAS 3201
  • ProMeris

Work with Metaflumizone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Trifluoromethoxy)benzonitrile332-25-241 % similar Triflumuron64628-44-037 % similar 3-(Trifluoromethyl)benzonitrile368-77-436 % similar [[3-(Trifluoromethyl)benzoyl]amino]acetic acid17794-48-836 % similar [3-(Trifluoromethyl)phenyl]acetic acid351-35-933 % similar 4-Cyanophenylacetic acid5462-71-533 % similar 3-(Trifluoromethyl)benzamide1801-10-132 % similar 3-(Trifluoromethyl)benzoic acid454-92-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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