chempirical

2-Chloro-4-fluorobenzamide

C7H5ClFNOCAS 88578-90-9173.57 g/mol

Open in Covalent MOL file
FClONH2
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

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
88578-90-9
SMILES
C1=CC(=C(C=C1F)Cl)C(=O)N
InChIKey
XIQZTMMWBKPFSE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClFNO/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H2,10,11)

Weigh it out

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Work with 2-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

2-Chloro-4-fluorobenzoyl chloride21900-54-967 % similar 2-Chloro-4-fluorobenzoic acid2252-51-960 % similar 1-(2-Chloro-4-fluorophenyl)ethanone700-35-660 % similar 5-Fluoro-2-methylbenzamide175278-28-156 % similar Methyl 2-chloro-4-fluorobenzoate85953-29-355 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-653 % similar 4-Fluorobenzamide824-75-950 % similar 1,2-Dichloro-4-fluorobenzene1435-49-048 % 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 3-Chloro-4-fluorobenzamide701-43-9

Elsewhere

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