1-(4-Amino-3,5-dichlorophenyl)ethanone

C₈H₇Cl₂NOCAS 37148-48-4204.05 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₈H₇Cl₂NO
Molar mass: 204.05 g/mol
Exact mass: 202.9905 Da
Melting point: 162–163.5 °C
logP: 2.78Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

37148-48-4

SMILES

CC(=O)c1cc(Cl)c(N)c(Cl)c1

InChIKey

JLPKZJDZXIKSCP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(4-amino-3,5-dichlorophenyl)-
4′-Amino-3′,5′-dichloroacetophenone
4-Acetyl-2,6-dichloroaniline
3,5-Dichloro-4-aminoacetophenone
1-(4-Amino-3,5-dichlorophenyl)ethan-1-one

Work with 1-(4-Amino-3,5-dichlorophenyl)ethanone

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

3′,4′-Dichloroacetophenone2642-63-958 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-256 % similar 1-(3-Chloro-4-hydroxyphenyl)ethanone2892-29-751 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-251 % similar 1-(4-Amino-3,5-dichlorophenyl)-2-bromoethanone37148-47-351 % similar 1-(4-Chloro-3-methylphenyl)ethanone37074-39-849 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-348 % similar 3′-Aminoacetophenone99-03-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(2,4-Dichlorophenyl)acetamide6975-29-7

Elsewhere

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