N-(3-Amino-4-chlorophenyl)acetamide

C8H9ClN2OCAS 51867-83-5184.62 g/mol

Open in Covalent MOL file
OHNClNH2
Aryl halidePrimary amine

Properties

Molecular formula
C8H9ClN2O
Molar mass
184.62 g/mol
Exact mass
184.0403 Da
Melting point
170 °C
logP
2.53Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
51867-83-5
SMILES
CC(O)=Nc1ccc(Cl)c(N)c1
InChIKey
MIIPQGGYCFVDAI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClN2O/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,10H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

3 names
  • Acetamide, N-(3-amino-4-chlorophenyl)-
  • 5-Acetamido-2-chloroaniline
  • 1-Amino-3-acetylamino-6-chloro-benzene

Work with N-(3-Amino-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(3-Amino-4-methoxyphenyl)acetamide6375-47-961 % similar 5-Acetamidoanthranilic acid50670-83-257 % similar 4-Acetamido-2-aminobenzenesulfonic acid88-64-255 % similar 3-Aminoacetanilide102-28-354 % similar N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide1579-89-154 % similar N-(4-Chloro-3-nitrophenyl)acetamide5540-60-353 % similar N,N'-Diacetyl-p-phenylenediamine140-50-152 % similar 4-Aminoacetanilide122-80-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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