chempirical

N-(2-Iodobenzoyl)glycine

C9H8INO3CAS 147-58-0305.07 g/mol

Open in Covalent MOL file
OHONHOI
Aryl halideCarboxylic acid

Properties

Molecular formula
C9H8INO3
Molar mass
305.07 g/mol
Exact mass
304.9549 Da
Melting point
170 °C
logP
1.68Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
147-58-0
SMILES
O=C(O)CN=C(O)c1ccccc1I
InChIKey
CORFWQGVBFFZHF-UHFFFAOYSA-N
InChI
InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)

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

Names and synonyms

8 names
  • Glycine, N-(2-iodobenzoyl)-
  • Hippuric acid, o-iodo-
  • o-Iodohippuric acid
  • N-(o-Iodobenzoyl)glycine
  • 2-Iodohippuric acid
  • 2-[(2-Iodobenzoyl)amino]acetic acid
  • 2-(2-Iodobenzamido)acetic acid
  • 2-[(2-Iodophenyl)formamido]acetic acid

Work with N-(2-Iodobenzoyl)glycine

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

Methylhippuric acid42013-20-768 % similar Salicyluric acid487-54-766 % similar Methenamine hippurate5714-73-854 % similar 2-Iodobenzoic acid88-67-549 % similar Nicotinuric acid583-08-448 % similar 3-Methylhippuric acid27115-49-747 % similar Phenylacetylglycine500-98-145 % similar [[3-(Trifluoromethyl)benzoyl]amino]acetic acid17794-48-844 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook