N-(4-Chlorophenyl)acetamide

C8H8ClNOCAS 539-03-7169.61 g/mol

Open in Covalent MOL file
ONHCl
AmideAryl halide

Properties

Molecular formula
C8H8ClNO
Molar mass
169.61 g/mol
Exact mass
169.0294 Da
Density
1.385 g/mL (at 22 °C)
Melting point
178–179 °C
Boiling point
333 °C
logP
2.30Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
539-03-7
SMILES
CC(=O)NC1=CC=C(C=C1)Cl
InChIKey
GGUOCFNAWIODMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.46 (d, J = 7.7 Hz, 2H), 7.40 (br s, 1H), 7.32 (d, J = 7.7 Hz, 2H), 2.02 (s, 3H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 171.1, 136.1, 130.4, 128.8, 121.3, 19.7.
[M + H]+
[M + H]+ Calcd for C8H9ClNO 170.0367
[M + Na]+
[M + Na]+ Calcd for C8H8ClNNaO 192.0187
[M − H]−
[M − H]− Calcd for C8H7ClNO 168.0222
Elemental analysis
Anal. Calcd for C8H8ClNO: C, 56.65; H, 4.75; N, 8.26.

Weigh it out

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

Names and synonyms

10 names
  • Acetamide, N-(4-chlorophenyl)-
  • Acetanilide, 4′-chloro-
  • p-Chloroacetanilide
  • 4′-Chloroacetanilide
  • N-Acetyl-p-chloroaniline
  • N-(p-Chlorophenyl)acetamide
  • N-Acetyl-4-chloroaniline
  • NSC 40563
  • NSC 444
  • N-(4-Chlorophenyl)ethaneamide

Work with N-(4-Chlorophenyl)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N'-Diacetyl-p-phenylenediamine140-50-175 % similar 4-Methylacetanilide103-89-962 % similar Acetanilide103-84-461 % similar 4′-Bromoacetanilide103-88-860 % similar Acetaminophen103-90-260 % similar 4′-Mercaptoacetanilide1126-81-460 % similar 4-Aminoacetanilide122-80-560 % similar N-(4-Fluorophenyl)acetamide351-83-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methylbenzamide101080-58-4 N-(2-Chlorophenyl)acetamide533-17-5 Chloroacetanilide587-65-5 N-(3-Chlorophenyl)acetamide588-07-8 2-Amino-1-(2-chlorophenyl)ethanone743357-99-5 2-Amino-4'-chloroacetophenone7644-03-3 2-Chloro-5-amino-acetophenone99914-14-4

Elsewhere

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