N-(5-Bromopentyl)phthalimide

C₁₃H₁₄BrNO₂CAS 954-81-4296.16 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₁₃H₁₄BrNO₂
Molar mass: 296.16 g/mol
Exact mass: 295.0208 Da
logP: 2.85Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

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

954-81-4

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCBr

InChIKey

QKVHAKICMNABGB-UHFFFAOYSA-N

InChI

InChI=1S/C13H14BrNO2/c14-8-4-1-5-9-15-12(16)10-6-2-3-7-11(10)13(15)17/h2-3,6-7H,1,4-5,8-9H2

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Work with N-(5-Bromopentyl)phthalimide

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-(6-Bromohexyl)phthalimide24566-79-8100 % similar N-(10-Bromodec-1-yl)phthalimide24566-80-1100 % similar 2-(4-Bromobutyl)-1H-isoindole-1,3(2H)-dione5394-18-396 % similar N-(3-Bromopropyl)phthalimide5460-29-790 % similar N-(2-Bromoethyl)phthalimide574-98-177 % similar N-(Bromomethyl)phthalimide5332-26-365 % similar N-Butylphthalimide1515-72-662 % similar 2-(3-Hydroxypropyl)-1H-isoindole-1,3(2H)-dione883-44-362 % similar

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

Same formula

7-(4-Bromobutoxy)-quinoline-2(1H)-one203395-59-9

Elsewhere

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