(2-Fluorophenyl)[2-(methylamino)-5-nitrophenyl]methanone

C₁₄H₁₁FN₂O₃CAS 735-06-8274.25 g/mol

Open in Covalent MOL file

Halogen Ketone Nitro Secondary Amine Tertiary Amine

Properties

Molecular formula: C₁₄H₁₁FN₂O₃
Molar mass: 274.25 g/mol
Exact mass: 274.0754 Da
Melting point: 186–187 °C
logP: 3.01Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Identifiers

CAS number

735-06-8

SMILES

CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F

InChIKey

GVXPKRIRHDRCGY-UHFFFAOYSA-N

InChI

InChI=1S/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3

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Names and synonyms

5 names

Methanone, (2-fluorophenyl)[2-(methylamino)-5-nitrophenyl]-
Benzophenone, 2′-fluoro-2-(methylamino)-5-nitro-
2′-Fluoro-2-methylamino-5-nitrobenzophenone
2-(Methylamino)-5-nitro-2′-fluorobenzophenone
Ro 05-5114

Work with (2-Fluorophenyl)[2-(methylamino)-5-nitrophenyl]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

Elsewhere

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