2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione

C₁₂H₁₂BrNO₂CAS 5394-18-3282.14 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₂H₁₂BrNO₂
Molar mass: 282.14 g/mol
Exact mass: 281.0051 Da
Melting point: 80–81 °C
logP: 2.46Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

5394-18-3

SMILES

O=C1c2ccccc2C(=O)N1CCCCBr

InChIKey

UXFWTIGUWHJKDD-UHFFFAOYSA-N

InChI

InChI=1S/C12H12BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2

Weigh it out

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

Names and synonyms

10 names

1H-Isoindole-1,3(2H)-dione, 2-(4-bromobutyl)-
Phthalimide, N-(4-bromobutyl)-
N-(4-Bromobutyl)phthalimide
1-Phthalimido-4-bromobutane
4-Bromobutylphthalimide
2-(4-Bromobutyl)phthalimide
2-(4-Bromobutyl)isoindole-1,3-dione
NSC 575
2-(4-Bromobutyl)isoindoline-1,3-dione
2-(4-Bromobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione

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

N-(3-Bromopropyl)phthalimide5460-29-793 % similar N-(Bromomethyl)phthalimide5332-26-367 % similar N-Butylphthalimide1515-72-664 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-364 % similar 4-Phthalimidobutyric acid3130-75-458 % similar N-(2-Hydroxyethyl)phthalimide3891-07-458 % similar 3-Phthalimidopropionaldehyde2436-29-554 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-653 % similar

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

Same formula

5-Bromo-1H-indole-3-butanoic acid13993-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook