chempirical

Methyl 2-(acetylamino)-5-chlorobenzoate

C10H10ClNO3CAS 20676-54-4227.64 g/mol

Open in Covalent MOL file
OOClNHO
Aryl halideEster

Properties

Molecular formula
C10H10ClNO3
Molar mass
227.64 g/mol
Exact mass
227.0349 Da
Melting point
130 °C
logP
2.73Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
20676-54-4
SMILES
COC(=O)c1cc(Cl)ccc1N=C(C)O
InChIKey
TVAAIYFBEWHVCV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2-(acetylamino)-5-chloro-, methyl ester
  • Anthranilic acid, N-acetyl-5-chloro-, methyl ester
  • Methyl N-acetyl-5-chloroanthranilate
  • Methyl 5-chloro-N-acetylanthranilate
  • 2-Acetylamino-5-chloro-benzoic acid methyl ester

Work with Methyl 2-(acetylamino)-5-chlorobenzoate

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

Methyl 5-chloro-2-hydroxybenzoate4068-78-460 % similar Methyl 2,5-dichlorobenzoate2905-69-359 % similar Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-658 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-056 % similar Methyl 2-amino-5-chlorobenzoate5202-89-156 % similar Methyl 2,4-dichlorobenzoate35112-28-855 % similar N-(2,4-Dichlorophenyl)acetamide6975-29-754 % similar Methyl 2-amino-4-chlorobenzoate5900-58-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook