3-Chloro-4-fluorobenzamide

C₇H₅ClFNOCAS 701-43-9173.57 g/mol

Open in Covalent MOL file

Amide Aryl 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

701-43-9

SMILES

C1=CC(=C(C=C1C(=O)N)Cl)F

InChIKey

AEYMQEMBMKCNEG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)

Weigh it out

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Work with 3-Chloro-4-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

3,4-Dichlorobenzamide2670-38-467 % similar 3-Chloro-4-fluorobenzoyl chloride65055-17-664 % similar 3-Chloro-4-fluorothiobenzamide130560-97-362 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-262 % similar 3-Chloro-4-fluorobenzoic acid403-16-762 % similar 3-Chloro-4-fluoroaniline367-21-548 % similar 3,4,5-Trifluorobenzamide78324-75-148 % similar 2,3,6-Trifluorobenzamide207986-22-947 % similar

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

Same formula

3-Chloro-2-fluorobenzamide104326-94-5 2-Chloro-6-fluorobenzaldehyde oxime443-33-4 2-Chloro-6-fluorobenzamide66073-54-9 2-Chloro-4-fluorobenzamide88578-90-9

Elsewhere

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