chempirical

3-Chloro-2-fluorobenzamide

C7H5ClFNOCAS 104326-94-5173.57 g/mol

Open in Covalent MOL file
ClFONH2
AmideAryl halide

Properties

Molecular formula
C7H5ClFNO
Molar mass
173.57 g/mol
Exact mass
173.0044 Da
logP
1.58Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
104326-94-5
SMILES
C1=CC(=C(C(=C1)Cl)F)C(=O)N
InChIKey
KGTCFPJGIYHDRZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClFNO/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.

Work with 3-Chloro-2-fluorobenzamide

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

1,3-Dichloro-2-fluorobenzene2268-05-550 % similar 2-Chloro-6-methylbenzamide101080-58-446 % similar 3-Chloro-2-fluorobenzenamine2106-04-945 % similar 2,6-Dichloro-5-fluoronicotinamide113237-20-044 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-343 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-542 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-342 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-042 % similar

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

Same formula

2-Chloro-6-fluorobenzaldehyde oxime443-33-4 2-Chloro-6-fluorobenzamide66073-54-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook