7-(4-Bromobenzoyl)-1,3-dihydro-2H-indol-2-one

C₁₅H₁₀BrNO₂CAS 91713-91-6316.15 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₁₅H₁₀BrNO₂
Molar mass: 316.15 g/mol
Exact mass: 314.9895 Da
logP: 3.17Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

91713-91-6

SMILES

C1C2=C(C(=CC=C2)C(=O)C3=CC=C(C=C3)Br)NC1=O

InChIKey

JDSPXIPYMUGSIJ-UHFFFAOYSA-N

InChI

InChI=1S/C15H10BrNO2/c16-11-6-4-9(5-7-11)15(19)12-3-1-2-10-8-13(18)17-14(10)12/h1-7H,8H2,(H,17,18)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

7-(4-Bromobenzoyl)-1,3- dihydro-2H-indol-2-one

Work with 7-(4-Bromobenzoyl)-1,3-dihydro-2H-indol-2-one

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

Bromfenac sodium91714-93-149 % similar 5-Bromo-2-oxindole20870-78-449 % similar 2-Amino-4'-bromobenzophenone1140-17-648 % similar Yellox120638-55-346 % similar 4,4′-Dibromobenzophenone3988-03-246 % similar 2-Oxo-2,3-dihydro-1H-indole-7-carbonitrile380427-40-746 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-945 % similar 4-Bromobenzophenone90-90-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methylamino-4-bromoanthraquinone128-93-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook