2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

C18H15BrN2O3 — CID 30426466

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H15BrN2O3/c19-13-6-7-14-15(10-13)18(24)21(17(14)23)11-16(22)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyQXKDOIRBSQJRDZ-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.40
Rot. Bonds5

About 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 30426466) has the molecular formula C18H15BrN2O3 and a molecular weight of 387.23 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID30426466
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccccc1
InChIInChI=1S/C18H15BrN2O3/c19-13-6-7-14-15(10-13)18(24)21(17(14)23)11-16(22)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyQXKDOIRBSQJRDZ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30425605
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylethyl)acetamide
CID 38952079
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 113201305
N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-3-methoxypropanamide
CID 108542690
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-methylpropyl N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]carbamate
CID 108574033

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide (CID 30426466) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCCc1ccccc1.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is QXKDOIRBSQJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c19-13-6-7-14-15(10-13)18(24)21(17(14)23)11-16(22)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 387.23 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 30426466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).