2,3-Difluorobenzamide

C₇H₅F₂NOCAS 18355-75-4157.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅F₂NO
Molar mass: 157.12 g/mol
Exact mass: 157.0339 Da
Melting point: 110–111 °C
logP: 1.85Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

18355-75-4

SMILES

N=C(O)c1cccc(F)c1F

InChIKey

DDAINDMVKSETGF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)

Weigh it out

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

Names and synonyms

1 names

Benzamide, 2,3-difluoro-

Work with 2,3-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-Fluorobenzamide445-28-369 % similar 2,3-Difluorobenzoic acid4519-39-563 % similar Phthalamide88-96-054 % similar 2-Chloro-6-fluorobenzamide66073-54-951 % similar 2,4,5-Trifluorobenzamide98349-23-650 % similar 2-Chlorobenzamide609-66-548 % similar 1-Naphthalenecarboxamide2243-81-447 % similar 2-Bromo-3-fluorobenzoic acid132715-69-646 % 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 2,6-Difluorobenzaldehyde oxime19064-16-5 2,4-Difluorobenzamide85118-02-1 2,5-Difluorobenzamide85118-03-2 3,4-Difluorobenzamide85118-04-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook