N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C₁₄H₂₀BNO₃CAS 380430-61-5261.13 g/mol

Open in Covalent MOL file

Amide Boronic ester

Properties

Molecular formula: C₁₄H₂₀BNO₃
Molar mass: 261.13 g/mol
Exact mass: 261.1536 Da
logP: 1.94Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

380430-61-5

SMILES

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

InChIKey

FTLANOKZIXLBML-UHFFFAOYSA-N

InChI

InChI=1S/C14H20BNO3/c1-10(17)16-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)

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Names and synonyms

1 names

2-Acetylaminophenylboronic acid pinacol ester

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

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

tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-465 % similar 2-Acetamidophenylboronic acid169760-16-157 % similar N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480425-36-357 % similar 2-(Methanesulfonylamino)phenylboronic acid pinacol ester380430-60-455 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-051 % similar Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate653589-95-849 % similar 2-Formylphenylboronic acid pinacol ester380151-85-947 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-8 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide480424-93-9

Elsewhere

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