chempirical

7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide

C18H14BrNO3CAS 1237-75-8372.22 g/mol

Open in Covalent MOL file
ONHOBrHO
Aryl halideEtherPhenol

Properties

Molecular formula
C18H14BrNO3
Molar mass
372.22 g/mol
Exact mass
371.0157 Da
logP
4.95Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
1237-75-8
SMILES
COc1ccccc1N=C(O)c1cc2cc(Br)ccc2cc1O
InChIKey
JIEINYQEXWLMCU-UHFFFAOYSA-N
InChI
InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22)

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Names and synonyms

6 names
  • 2-Naphthalenecarboxamide, 7-bromo-3-hydroxy-N-(2-methoxyphenyl)-
  • 2-Naphth-o-anisidide, 7-bromo-3-hydroxy-
  • C.I. 37566
  • C.I. Azoic coupling component 45
  • Naphthol AS-BI
  • NSC 367089

Work with 7-Bromo-3-hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide

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

3-Hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide135-62-678 % similar N-(2,5-Dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-73-962 % similar N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide137-52-060 % similar N-(2-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-74-057 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4273-92-157 % similar N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-72-857 % similar 3-Hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide135-61-552 % similar 3-Hydroxy-N-1-naphthalenyl-2-naphthalenecarboxamide132-68-351 % similar

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

Same formula

8-Benzyloxy-5-(2-bromoacetyl)-2-hydroxyquinoline100331-89-3

Elsewhere

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