chempirical

2-Chloro-N-(4-methoxyphenyl)acetamide

C9H10ClNO2CAS 22303-36-2199.63 g/mol

Open in Covalent MOL file
ONHOCl
Alkyl halideAmideEther

Properties

Molecular formula
C9H10ClNO2
Molar mass
199.63 g/mol
Exact mass
199.0400 Da
Melting point
121.5–122.5 °C
logP
1.87Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
22303-36-2
SMILES
COc1ccc(NC(=O)CCl)cc1
InChIKey
RLUUKMWWYRMCPY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)

Weigh it out

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Names and synonyms

12 names
  • Acetamide, 2-chloro-N-(4-methoxyphenyl)-
  • p-Acetanisidide, 2-chloro-
  • 2-Chloro-4′-methoxyacetanilide
  • 2-Chloro-N-p-anisylacetamide
  • N-Chloroacetyl-4-methoxyaniline
  • N-(p-Anisyl)chloroacetamide
  • 2-Chloro-p-acetanisidide
  • N-(p-Methoxyphenyl)chloroacetamide
  • N-(4-Anisyl)chloroacetamide
  • NSC 8373
  • α-Chloro-p-methoxyacetanilide
  • N-(4-Methoxyphenyl)-2-chloroacetamide

Work with 2-Chloro-N-(4-methoxyphenyl)acetamide

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

N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-963 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-563 % similar 2-Chloro-N-[4-(trifluoromethoxy)phenyl]acetamide161290-85-362 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-660 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-558 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-258 % similar 2-Chloro-N-(4-isopropylphenyl)acetamide1527-61-358 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-854 % similar

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

Same formula

2-Chloro-L-phenylalanine103616-89-3 (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid131690-60-3 (βR)-β-Amino-4-chlorobenzenepropanoic acid131690-61-4 (2R)-2-Amino-3-(4-chlorophenyl)propanoic acid14091-08-8 Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-0 Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-2 4-Chloro-L-phenylalanine14173-39-8 3-Amino-3-(4-chlorophenyl)propionic acid19947-39-8

Elsewhere

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