chempirical

2-Chloro-N-(3-chloro-4-fluorophenyl)acetamide

C8H6Cl2FNOCAS 96980-64-2222.04 g/mol

Open in Covalent MOL file
NHOClClF
Alkyl halideAmideAryl halide

Properties

Molecular formula
C8H6Cl2FNO
Molar mass
222.04 g/mol
Exact mass
220.9810 Da
logP
2.66Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96980-64-2
SMILES
C1=CC(=C(C=C1NC(=O)CCl)Cl)F
InChIKey
DJPAQYXQRCWKEH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2FNO/c9-4-8(13)12-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H,12,13)

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Names and synonyms

1 names
  • 3-Chloro-N-(chloroacetyl)-4-fluoroaniline

Work with 2-Chloro-N-(3-chloro-4-fluorophenyl)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

N1-(3,4-Dichlorophenyl)-2-chloroacetamide20149-84-272 % similar 2-Chloro-N-(4-fluorophenyl)acetamide351-04-262 % similar 2-Chloro-N-(3-fluorophenyl)acetamide350-81-262 % similar N-(4-Chlorophenyl)-2-chloroacetamide3289-75-659 % similar 2-Chloro-N-(3-chlorophenyl)acetamide2564-05-855 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-554 % similar N-(4-Bromophenyl)-2-chloroacetamide2564-02-554 % similar N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-554 % similar

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

Elsewhere

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