chempirical

3-[[(2-Methylphenyl)amino]carbonyl]-2-naphthalenyl 2-chloroacetate

C20H16ClNO3CAS 35245-26-2353.80 g/mol

Open in Covalent MOL file
NHOOOCl
Alkyl halideEster

Properties

Molecular formula
C20H16ClNO3
Molar mass
353.80 g/mol
Exact mass
353.0819 Da
logP
4.93Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
35245-26-2
SMILES
Cc1ccccc1N=C(O)c1cc2ccccc2cc1OC(=O)CCl
InChIKey
FMVKYSCWHDVMGO-UHFFFAOYSA-N
InChI
InChI=1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)

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Names and synonyms

4 names
  • Acetic acid, 2-chloro-, 3-[[(2-methylphenyl)amino]carbonyl]-2-naphthalenyl ester
  • Acetic acid, chloro-, 3-[[(2-methylphenyl)amino]carbonyl]-2-naphthalenyl ester
  • Naphthol AS-D chloroacetate
  • 2-(o-Tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate

Work with 3-[[(2-Methylphenyl)amino]carbonyl]-2-naphthalenyl 2-chloroacetate

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-methylphenyl)-2-naphthalenecarboxamide135-61-554 % similar 3-(Acetyloxy)-N-phenyl-2-naphthalenecarboxamide1163-67-347 % similar N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide6358-02-745 % similar N-(5-Chloro-2-methylphenyl)-3-hydroxy-2-naphthalenecarboxamide135-63-743 % similar N-(2,4-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide92-75-142 % similar Pigment red 1126535-46-241 % similar N-(2-Ethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-74-041 % similar 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide135-62-641 % similar

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

Elsewhere

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