2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide

C15H10Cl3NO2CAS 14405-03-9342.60 g/mol

Open in Covalent MOL file
OClClNHOCl
Alkyl halideAryl halideKetone

Properties

Molecular formula
C15H10Cl3NO2
Molar mass
342.60 g/mol
Exact mass
340.9777 Da
Melting point
157–159 °C
logP
5.05Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number
14405-03-9
SMILES
O=C(c1ccccc1Cl)c1cc(Cl)ccc1N=C(O)CCl
InChIKey
VCBRYYAFVLDIHK-UHFFFAOYSA-N
InChI
InChI=1S/C15H10Cl3NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

Weigh it out

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

Names and synonyms

4 names
  • Acetamide, 2-chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-
  • Acetanilide, 2,4′-dichloro-2′-(o-chlorobenzoyl)-
  • Ro 97-1274
  • 2,4'-Dichloro-2'-o-chlorobenzoylacetanilide

Work with 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]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

2-Chloroacetamido-5-chlorobenzophenone4016-85-776 % similar Delorazepam2894-67-958 % similar 2-Amino-2',5-dichlorobenzophenone2958-36-352 % similar 2-Amino-2',5'-dichlorobenzophenone21723-84-248 % similar 2,4'-Dichlorobenzophenone85-29-048 % similar 2-Chloroanthraquinone131-09-948 % similar Desalkylflurazepam2886-65-946 % similar 2,5-Dichlorobenzophenone16611-67-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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