chempirical

Carprofen

C15H12ClNO2CAS 53716-49-7273.72 g/mol

Open in Covalent MOL file
OOHNHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C15H12ClNO2
Molar mass
273.72 g/mol
Exact mass
273.0557 Da
Melting point
197.5 °C
logP
4.16Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
53716-49-7
SMILES
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIKey
PUXBGTOOZJQSKH-UHFFFAOYSA-N
InChI
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

15 names · show all
  • 9H-Carbazole-2-acetic acid, 6-chloro-α-methyl-
  • Carprodyl
  • 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid
  • Vetprofen
  • 9H-Carbazole-2-acetic acid, 6-chloro-α-methyl-, (±)-
  • 6-Chloro-α-methyl-9H-carbazole-2-acetic acid
  • C 5720
  • (Dl)-6-Chloro-α-methylcarbazole-2-acetic acid
  • Ro 20-5720
  • 2-(6-Chlorocarbazol-2-yl)propionic acid
  • Ro 20-5720/000
  • Imadyl
  • Rimadyl
  • NSC 297935
  • 6-Chloro-α-methylcarbazole-2-acetic acid

Work with Carprofen

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-Chloro-α-methylbenzeneacetic acid938-95-458 % similar 2-(4-Chlorophenyl)-3-methylbutyric acid2012-74-044 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-543 % similar Pigment red 2023089-17-643 % similar Ketoprofen22071-15-442 % similar (+)-Ketoprofen22161-81-542 % similar Fenoprofen31879-05-742 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-641 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook