chempirical

4′-Nitrobenzanilide

C13H10N2O3CAS 3393-96-2242.23 g/mol

Open in Covalent MOL file
OHNN+OO−
AmideNitro

Properties

Molecular formula
C13H10N2O3
Molar mass
242.23 g/mol
Exact mass
242.0691 Da
Density
1.43 g/mL
Melting point
197–198 °C
logP
2.85Crippen estimate
Polar surface area
72.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
3393-96-2
SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIKey
GMGQGZYFQSCZCW-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O3/c16-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)15(17)18/h1-9H,(H,14,16)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 4'-Nitrobenzanilide
  • N-(4-Nitrophenyl)benzamide
  • Benzamide, N-(4-nitrophenyl)-
  • Benzanilide, 4′-nitro-
  • p-Nitro-N-benzoylaniline
  • p′-Nitrobenzanilide
  • N-(p-Nitrophenyl)benzamide
  • N-Benzoyl-p-nitroaniline
  • N-Benzoyl-4-nitroaniline
  • NSC 82120

Work with 4′-Nitrobenzanilide

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

4,4′-Dinitrocarbanilide587-90-661 % similar 4-Nitrobenzophenone1144-74-759 % similar 4-Nitrodiphenylamine836-30-658 % similar 4-Nitrobenzoic acid hydrazide636-97-556 % similar N-(4-Aminophenyl)benzamide17625-83-155 % similar Nitrobenzene98-95-352 % similar N-(4-Nitrophenyl)thiourea3696-22-851 % similar 4-Nitrochalcone1222-98-651 % similar

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

Same formula

2-(4′-Hydroxyphenylazo)benzoic acid1634-82-8 2-Amino-5-nitrobenzophenone1775-95-7 4-Amino-3-nitrobenzophenone31431-19-3 N-(2-Nitrophenyl)benzamide728-90-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook