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

C18H15BrN2O3 — CID 110839260

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3/c1-11(12-5-3-2-4-6-12)20-16(22)10-21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyRYLKDTKVVCBIGY-UHFFFAOYSA-N
MW387.23 g/mol
LogP2.92
Rot. Bonds4

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

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide (PubChem CID 110839260) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
PubChem CID110839260
Molecular FormulaC18H15BrN2O3
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1
InChIInChI=1S/C18H15BrN2O3/c1-11(12-5-3-2-4-6-12)20-16(22)10-21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyRYLKDTKVVCBIGY-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 52.92
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-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188059
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 55722387
2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-2-cyclopropylacetic acid
CID 119213231
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(1-phenylethyl)acetamide
CID 17200931
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2702070
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
N-[(1R)-1-phenylethyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7975986

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide (CID 110839260) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccccc1.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is RYLKDTKVVCBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O3/c1-11(12-5-3-2-4-6-12)20-16(22)10-21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 387.23 g/mol, XLogP of 2.92, 4 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 110839260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).