2-Chloro-N-(2-phenylethyl)acetamide

C10H12ClNOCAS 13156-95-1197.66 g/mol

Open in Covalent MOL file
OClHN
Alkyl halide

Properties

Molecular formula
C10H12ClNO
Molar mass
197.66 g/mol
Exact mass
197.0607 Da
Melting point
67 °C
Boiling point
186–189 °C (at 14 Torr)
logP
2.42Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13156-95-1
SMILES
OC(CCl)=NCCc1ccccc1
InChIKey
LNWWGHNQLOXRTF-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClNO/c11-8-10(13)12-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

Weigh it out

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

Names and synonyms

7 names
  • Acetamide, 2-chloro-N-(2-phenylethyl)-
  • Acetamide, 2-chloro-N-phenethyl-
  • N-Phenethylchloroacetamide
  • NSC 8377
  • 2-Chloro-N-phenethylacetamide
  • N-(2-Phenylethyl)-2-chloroacetamide
  • 2-Chloro-N-phenethyl-acetamide

Work with 2-Chloro-N-(2-phenylethyl)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-Benzyl-2-chloroacetamide2564-06-971 % similar Chloroacetanilide587-65-556 % similar N-(2-Phenylethyl)acetamide877-95-253 % similar N-(Chloroacetyl)-3-phenyl-DL-alanine7765-11-948 % similar 2-Chloro-N-(2-fluorophenyl)acetamide347-66-045 % similar N-Methylol-α-chloroacetamide2832-19-144 % similar (2-Phenylacetyl)hydrazine937-39-342 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-7 4-((2-Chloroethyl)methylamino)benzaldehyde94-31-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook