Tacedinaline

C₁₅H₁₅N₃O₂CAS 112522-64-2269.30 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₁₅H₁₅N₃O₂
Molar mass: 269.30 g/mol
Exact mass: 269.1164 Da
Melting point: 216.1 °C
logP: 3.13Crippen estimate
Polar surface area: 87.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 67 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

112522-64-2

SMILES

CC(O)=Nc1ccc(C(=O)Nc2ccccc2N)cc1

InChIKey

VAZAPHZUAVEOMC-UHFFFAOYSA-N

InChI

InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)

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Names and synonyms

6 names

CI 994
Benzamide, 4-(acetylamino)-N-(2-aminophenyl)-
4-(Acetylamino)-N-(2-aminophenyl)benzamide
Goe 5549
Acetyldinaline
PD 123654

Work with Tacedinaline

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

N-(4-Acetylphenyl)acetamide2719-21-348 % similar Acedoben556-08-148 % similar Entinostat209783-80-247 % similar 4-Aminoacetanilide122-80-544 % similar 5-Acetamidoanthranilic acid50670-83-244 % similar Acetanilide103-84-444 % similar N,N'-Diacetyl-p-phenylenediamine140-50-144 % similar p-Chloroacetylacetanilide140-49-843 % similar

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

Same formula

3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid20691-84-3 Disperse yellow 32832-40-8 Methyl red493-52-7

Elsewhere

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