2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide

C14H15BrN2O3 — CID 61485417

IUPAC2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O3/c1-2-3-6-16-12(18)8-17-11-5-4-9(15)7-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyWZPQGLZVJKDXMQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.89
Rot. Bonds5

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

2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide (PubChem CID 61485417) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
PubChem CID61485417
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O3/c1-2-3-6-16-12(18)8-17-11-5-4-9(15)7-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyWZPQGLZVJKDXMQ-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 61486272
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
5-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
N-butyl-2-(6-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61485458
2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
CID 95922016
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
N-(2-hydroxyethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61356119
methyl (E)-2-[(5-bromo-2,3-dioxoindol-1-yl)methyl]-3-phenylprop-2-enoate
CID 73350893
5-(5-bromo-2,3-dioxoindol-1-yl)pentanehydrazide
CID 63579731
2-(5-bromo-2,3-dioxoindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488838

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide?
The IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide (CID 61485417) is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide is CCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide?
The InChIKey is WZPQGLZVJKDXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-2-3-6-16-12(18)8-17-11-5-4-9(15)7-10(11)13(19)14(17)20/h4-5,7H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide?
2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide has a molecular weight of 339.19 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-butylacetamide is sourced from PubChem (CID 61485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).