chempirical

2-Amino-5-chloro-2′-fluorobenzophenone

C13H9ClFNOCAS 784-38-3249.67 g/mol

Open in Covalent MOL file
NH2ClOF
Aryl halideKetonePrimary amine

Properties

Molecular formula
C13H9ClFNO
Molar mass
249.67 g/mol
Exact mass
249.0357 Da
Melting point
94–95 °C
logP
3.29Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
784-38-3
SMILES
Nc1ccc(Cl)cc1C(=O)c1ccccc1F
InChIKey
GTGMXPIQRQSORU-UHFFFAOYSA-N
InChI
InChI=1S/C13H9ClFNO/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

3 names
  • Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-
  • Benzophenone, 2-amino-5-chloro-2′-fluoro-
  • (2-Amino-5-chlorophenyl)(2-fluorophenyl)methanone

Work with 2-Amino-5-chloro-2′-fluorobenzophenone

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-2′,5-dichlorobenzophenone2958-36-374 % similar 2-Amino-5-chlorobenzophenone719-59-567 % similar (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-966 % similar (2-Amino-5-nitrophenyl)(2-fluorophenyl)methanone344-80-959 % similar 2-Chloroanthraquinone131-09-957 % similar 2-Amino-4′-chlorobenzophenone2894-51-154 % similar 4-Chloro-2-fluoroaniline57946-56-251 % similar 2-Amino-5-chlorobenzoic acid635-21-251 % similar

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

Elsewhere

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