chempirical

N-[4-[(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]acetamide

C22H16N2O4CAS 67905-17-3372.38 g/mol

Open in Covalent MOL file
OHNNHOHOO
KetonePhenolSecondary amine

Properties

Molecular formula
C22H16N2O4
Molar mass
372.38 g/mol
Exact mass
372.1110 Da
logP
4.52Crippen estimate
Polar surface area
99.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
3

Identifiers

CAS number
67905-17-3
SMILES
CC(O)=Nc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1
InChIKey
DAPGHBPTUCXSRG-UHFFFAOYSA-N
InChI
InChI=1S/C22H16N2O4/c1-12(25)23-13-6-8-14(9-7-13)24-17-10-11-18(26)20-19(17)21(27)15-4-2-3-5-16(15)22(20)28/h2-11,24,26H,1H3,(H,23,25)

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Names and synonyms

8 names
  • Acetamide, N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]-
  • Acetanilide, 4′-(4-hydroxy-1-anthraquinonylamino)-
  • 1-(p-Acetamidoanilino)-4-hydroxyanthraquinone
  • C.I. 60744
  • C.I. Solvent blue 122
  • Solvent blue 122
  • Polysynthren blue G
  • Polysynthren blue R

Work with N-[4-[(9,10-Dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]acetamide

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

Quinizarine green ss128-80-353 % similar C.I. Acid violet 434430-18-645 % similar 1-Amino-4-hydroxyanthraquinone116-85-843 % similar 1-Hydroxyanthraquinone129-43-141 % similar Disperse blue 142475-44-741 % similar 4-Acetamidosalicylic acid50-86-241 % similar C.I. Mordant black 131324-21-640 % similar Solvent blue 104116-75-639 % similar

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

Elsewhere

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