N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide

C₂₁H₁₄N₂O₃CAS 117-06-6342.35 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₂₁H₁₄N₂O₃
Molar mass: 342.35 g/mol
Exact mass: 342.1004 Da
Melting point: 258–260 °C
logP: 3.68Crippen estimate
Polar surface area: 92.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

117-06-6

SMILES

Nc1cccc2c1C(=O)c1cccc(N=C(O)c3ccccc3)c1C2=O

InChIKey

FWEQPMZEKHHFTB-UHFFFAOYSA-N

InChI

InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)

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Names and synonyms

10 names

Benzamide, N-(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
Benzamide, N-(5-amino-1-anthraquinonyl)-
Anthraquinone, 1-amino-5-benzamido-
1-Amino-5-benzoylaminoanthraquinone
1-Amino-5-benzamido-9,10-anthraquinone
1-Benzamido-5-amino-9,10-anthraquinone
5-Benzamido-1-aminoanthraquinone
1-Benzamido-5-aminoanthraquinone
1-Amino-5-benzamidoanthraquinone
NSC 13981

Work with N-(5-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)benzamide

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

1,5-Diaminoanthraquinone129-44-258 % similar 1-Aminoanthraquinone82-45-157 % similar 3-Aminophthalimide2518-24-352 % similar 1-Amino-5-chloroanthraquinone117-11-350 % similar Disperse violet 1128-95-046 % similar 1,2-Diaminoanthraquinone1758-68-543 % similar 4-Benzoylamino-2,5-dimethoxyaniline6268-05-943 % similar 1-Amino-4-hydroxyanthraquinone116-85-843 % similar

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

Elsewhere

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