N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

C₁₃H₁₈BNO₃CAS 480425-36-3247.10 g/mol

Open in Covalent MOL file

Amide Boronic ester

Properties

Molecular formula: C₁₃H₁₈BNO₃
Molar mass: 247.10 g/mol
Exact mass: 247.1380 Da
logP: 1.55Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

480425-36-3

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC=O

InChIKey

GXTTWKFHLLCWMJ-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-8-11(10)15-9-16/h5-9H,1-4H3,(H,15,16)

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Work with N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

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-Formylphenylboronic acid pinacol ester380151-85-961 % similar 2-(Methanesulfonylamino)phenylboronic acid pinacol ester380430-60-457 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-451 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-050 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-449 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-246 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-645 % similar

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

Same formula

4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-3 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide188665-74-9 N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480424-94-0 N-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-37-4

Elsewhere

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