N-(4-Chlorophenyl)acetamide

C₈H₈ClNOCAS 539-03-7169.61 g/mol

Open in Covalent MOL file

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: 2.95Crippen estimate
Polar surface area: 32.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

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)=Nc1ccc(Cl)cc1

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)

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-phenylenediamine140-50-174 % similar 4′-Bromoacetanilide103-88-861 % similar 4-Methylacetanilide103-89-961 % similar Acetaminophen103-90-261 % similar Acetanilide103-84-459 % similar 4′-Mercaptoacetanilide1126-81-459 % similar 4-Aminoacetanilide122-80-559 % similar N-(4-Fluorophenyl)acetamide351-83-759 % 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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