3-(5-bromo-2,3-dioxoindol-1-yl)propanamide

C11H9BrN2O3 — CID 43152576

IUPAC3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
SMILESNC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H9BrN2O3/c12-6-1-2-8-7(5-6)10(16)11(17)14(8)4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyWVOVEXBFTKHSJL-UHFFFAOYSA-N
MW297.11 g/mol
LogP0.85
Rot. Bonds3

About 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide

3-(5-bromo-2,3-dioxoindol-1-yl)propanamide (PubChem CID 43152576) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
PubChem CID43152576
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Name3-(5-bromo-2,3-dioxoindol-1-yl)propanamide
SMILESNC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C11H9BrN2O3/c12-6-1-2-8-7(5-6)10(16)11(17)14(8)4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)
InChIKeyWVOVEXBFTKHSJL-UHFFFAOYSA-N
XLogP0.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
hydrazinyl 3-(5-bromo-2,3-dioxoindol-1-yl)propanoate
CID 66338418
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
CID 63579731
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
5-bromo-1-(2-tert-butylsulfonylethyl)indole-2,3-dione
CID 106726034
5-bromo-1-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]indole-2,3-dione
CID 175639476
5-bromo-1-[3-(cyclopropylamino)propyl]indole-2,3-dione
CID 61387405
4-(6-bromo-2,3-dioxoindol-1-yl)butanoic acid
CID 18072187
5-bromo-1-[2-(3,5-dichlorophenoxy)ethyl]indole-2,3-dione
CID 18802877
5-(5-bromo-2,3-dioxoindol-1-yl)-2,2-dimethylpentanenitrile
CID 65255661
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
CID 61485417

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide?
The IUPAC name of 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide (CID 43152576) is 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide.
What is the SMILES notation for 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide?
The canonical SMILES for 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide is NC(=O)CCN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide?
The InChIKey is WVOVEXBFTKHSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c12-6-1-2-8-7(5-6)10(16)11(17)14(8)4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15).
What are the key properties of 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide?
3-(5-bromo-2,3-dioxoindol-1-yl)propanamide has a molecular weight of 297.11 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2,3-dioxoindol-1-yl)propanamide is sourced from PubChem (CID 43152576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).