chempirical

2,6-Dichloro-4-(trifluoromethyl)benzamide

C8H4Cl2F3NOCAS 157021-70-0258.02 g/mol

Open in Covalent MOL file
ClONH2ClFFF
Alkyl halideAmideAryl halide

Properties

Molecular formula
C8H4Cl2F3NO
Molar mass
258.02 g/mol
Exact mass
256.9622 Da
logP
3.11Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
157021-70-0
SMILES
C1=C(C=C(C(=C1Cl)C(=O)N)Cl)C(F)(F)F
InChIKey
OWAIJGGUONLHEI-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2F3NO/c9-4-1-3(8(11,12)13)2-5(10)6(4)7(14)15/h1-2H,(H2,14,15)

Weigh it out

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

Work with 2,6-Dichloro-4-(trifluoromethyl)benzamide

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

1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-662 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-853 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-652 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-952 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-250 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-750 % similar 2,6-Dichloro-4-(trifluoromethyl)phenylacetic acid132992-36-049 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-848 % similar

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

Elsewhere

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