chempirical

2,5-Difluorobenzamide

C7H5F2NOCAS 85118-03-2157.12 g/mol

Open in Covalent MOL file
H2NOFF
Aryl halide

Properties

Molecular formula
C7H5F2NO
Molar mass
157.12 g/mol
Exact mass
157.0339 Da
logP
1.85Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
85118-03-2
SMILES
N=C(O)c1cc(F)ccc1F
InChIKey
BJKWHAILFUUIRT-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)

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

Names and synonyms

1 names
  • Benzamide, 2,5-difluoro-

Work with 2,5-Difluorobenzamide

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

2-Amino-5-fluorobenzamide63069-49-864 % similar 2,5-Difluorobenzoic acid2991-28-863 % similar 2,4,5-Trifluorobenzamide98349-23-660 % similar 2-Fluorobenzamide445-28-358 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-056 % similar 3-Fluorobenzamide455-37-852 % similar 2,4-Difluorobenzoic acid1583-58-049 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-849 % similar

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

Same formula

3,5-Difluorobenzamide132980-99-5 2,6-Difluorobenzamide18063-03-1 2,3-Difluorobenzamide18355-75-4 2,6-Difluorobenzaldehyde oxime19064-16-5 2,4-Difluorobenzamide85118-02-1 3,4-Difluorobenzamide85118-04-3

Elsewhere

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