(2-Amino-5-bromophenyl)(2-fluorophenyl)methanone

C₁₃H₉BrFNOCAS 1479-58-9294.12 g/mol

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Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₉BrFNO
Molar mass: 294.12 g/mol
Exact mass: 292.9852 Da
Melting point: 101–102 °C
logP: 3.40Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

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

1479-58-9

SMILES

Nc1ccc(Br)cc1C(=O)c1ccccc1F

InChIKey

XCOKDXNGCQXFCV-UHFFFAOYSA-N

InChI

InChI=1S/C13H9BrFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

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Names and synonyms

4 names

Methanone, (2-amino-5-bromophenyl)(2-fluorophenyl)-
Benzophenone, 2-amino-5-bromo-2′-fluoro-
2-Amino-5-bromo-2′-fluorobenzophenone
2-Amino-2′-fluoro-5-bromobenzophenone

Work with (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone

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-bromobenzophenone39859-36-467 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-366 % similar 2-Amino-2'-fluoro-5-nitrobenzophenone344-80-959 % similar 2-Bromoanthraquinone572-83-857 % similar 2-Amino-4'-bromobenzophenone1140-17-654 % similar 2-Bromo-9-fluorenone3096-56-853 % similar 4-Bromo-2-fluoroaniline367-24-851 % similar 2-Amino-5-bromobenzoic acid5794-88-751 % similar

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

Elsewhere

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