chempirical

N-(2-Nitrophenyl)benzamide

C13H10N2O3CAS 728-90-5242.23 g/mol

Open in Covalent MOL file
ON+O−HNO
Nitro

Properties

Molecular formula
C13H10N2O3
Molar mass
242.23 g/mol
Exact mass
242.0691 Da
Melting point
93 °C
logP
3.23Crippen estimate
Polar surface area
75.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
728-90-5
SMILES
O=[N+]([O-])c1ccccc1N=C(O)c1ccccc1
InChIKey
ARMSTQBMUHJXHU-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2O3/c16-13(10-6-2-1-3-7-10)14-11-8-4-5-9-12(11)15(17)18/h1-9H,(H,14,16)

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Names and synonyms

7 names
  • Benzamide, N-(2-nitrophenyl)-
  • Benzanilide, 2′-nitro-
  • o′-Nitrobenzanilide
  • 2′-Nitrobenzanilide
  • N-(o-Nitrophenyl)benzamide
  • NSC 406275
  • N-Benzoyl-2-nitroaniline

Work with N-(2-Nitrophenyl)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

N-(2-Nitrophenyl)acetamide552-32-962 % similar 2-Nitrobenzohydrazide606-26-852 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-152 % similar 2-Nitrophenyl isocyanate3320-86-350 % similar 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-350 % similar 3-Nitrophthalimide603-62-350 % similar N,N′-(Dithiodi-2,1-phenylene)bis[benzamide]135-57-949 % similar 1,2-Dinitrobenzene528-29-048 % 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-(4-Nitrophenyl)benzamide3393-96-2

Elsewhere

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