chempirical

Diclofenac

C14H11Cl2NO2CAS 15307-86-5296.15 g/mol

Open in Covalent MOL file
OOHNHClCl
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C14H11Cl2NO2
Molar mass
296.15 g/mol
Exact mass
295.0167 Da
Melting point
156–158 °C
logP
4.36Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
15307-86-5
SMILES
O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIKey
DCOPUUMXTXDBNB-UHFFFAOYSA-N
InChI
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)

Weigh it out

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

Names and synonyms

27 names · show all
  • Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-
  • Acetic acid, [o-(2,6-dichloroanilino)phenyl]-
  • 2-[(2,6-Dichlorophenyl)amino]benzeneacetic acid
  • N-(2,6-Dichlorophenyl)-o-aminophenylacetic acid
  • [o-(2,6-Dichloroanilino)phenyl]acetic acid
  • 2-(2,6-Dichloroanilino)phenylacetic acid
  • Diclofenac acid
  • Dichlofenac
  • 2-(2,6-Dichlorophenylamino)phenylacetic acid
  • Pennsaid
  • Dicloreuma
  • Transfenac
  • Diclomelan
  • Diclofenamic acid
  • Diclac
  • Voltaflan
  • 2-[2-(2,6-Dichlorophenylamino)phenyl]acetic acid
  • Ortofen
  • DCF 100C
  • Dicloftil
  • Voltaren dolo
  • Flector EP tissugel
  • Flector
  • Zorvolex
  • Vetagesic
  • Zolterol
  • 2-[2-(2,6-Dichloroanilino)phenyl]acetic acid

Work with Diclofenac

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

Diclofenac diethylamine78213-16-883 % similar Diclofenac epolamine119623-66-474 % similar Aceclofenac89796-99-673 % similar (2-Chlorophenyl)acetic acid2444-36-267 % similar Diclofenac sodium15307-79-661 % similar Diclofenac potassium15307-81-061 % similar 2,3-Dichlorophenylacetic acid10236-60-959 % similar Lumiracoxib220991-20-858 % similar

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

Same formula

Meclofenamic acid644-62-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook