chempirical

N,N′-Diacetyl-P-phenylenediamine

C10H12N2O2CAS 140-50-1192.22 g/mol

Open in Covalent MOL file
OHNNHO

Properties

Molecular formula
C10H12N2O2
Molar mass
192.22 g/mol
Exact mass
192.0899 Da
Melting point
204 °C
logP
2.90Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
140-50-1
SMILES
CC(O)=Nc1ccc(N=C(C)O)cc1
InChIKey
KVEDKKLZCJBVNP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

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Names and synonyms

13 names · show all
  • Acetamide, N,N′-1,4-phenylenebis-
  • Acetamide, N,N′-p-phenylenebis-
  • N,N′-1,4-Phenylenebis[acetamide]
  • p-Phenylenediacetamide
  • 1,4-Diacetamidobenzene
  • 1,4-Bisacetamidobenzene
  • 4′-Acetamidoacetanilide
  • 1,4-Diacetylaminobenzene
  • N,N′-Diacetyl-1,4-phenylenediamine
  • NSC 401116
  • N-[4-(Acetylamino)phenyl]acetamide
  • N,N′-(1,4-Phenylene)diacetamide
  • 1,4-Bis(acetylamino)benzene

Work with N,N′-Diacetyl-P-phenylenediamine

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

Bromoacetanilide103-88-877 % similar P-Acetotoluidide103-89-977 % similar Acetaminophen103-90-277 % similar Acetanilide103-84-476 % similar 4-Acetamidothiophenol1126-81-474 % similar 4-Aminoacetanilide122-80-574 % similar N-(4-Fluorophenyl)acetamide351-83-774 % similar N-(4-Chlorophenyl)acetamide539-03-774 % similar

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

Same formula

(S)-4-(4-Aminobenzyl)-2-oxazolidinone152305-23-2 4-(4-Aminophenyl)morpholin-3-one438056-69-0

Elsewhere

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