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

C₁₀H₁₂ClNOCAS 13156-95-1197.66 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

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

6 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

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-(2-Chloroacetyl)phenylalanine7765-11-948 % 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