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Inabenfide

C19H15ClN2O2CAS 82211-24-3338.79 g/mol

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OHNClHON
AlcoholAmideAryl halide

Properties

Molecular formula
C19H15ClN2O2
Molar mass
338.79 g/mol
Exact mass
338.0822 Da
Melting point
211 °C
logP
4.07Crippen estimate
Polar surface area
62.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
82211-24-3
SMILES
O=C(Nc1ccc(Cl)cc1C(O)c1ccccc1)c1ccncc1
InChIKey
PFDCOZXELJAUTR-UHFFFAOYSA-N
InChI
InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)

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Names and synonyms

4 names
  • 4-Pyridinecarboxamide, N-[4-chloro-2-(hydroxyphenylmethyl)phenyl]-
  • N-[4-Chloro-2-(hydroxyphenylmethyl)phenyl]-4-pyridinecarboxamide
  • Seritard
  • CGR 811

Work with Inabenfide

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-Chlorobenzhydrol119-56-240 % similar 4-(4-Chlorobenzoyl)pyridine14548-48-235 % similar α-(4-Chlorophenyl)-2-pyridinemethanol27652-89-735 % similar Isoniazid54-85-333 % similar N-(4-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide92-78-433 % similar Salicylaldehyde isonicotinoylhydrazone495-84-132 % similar 3-Chloromandelic acid16273-37-332 % similar 4-Benzoylpyridine14548-46-032 % similar

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

Elsewhere

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