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

C14H15BrN2O4 — CID 61486272

IUPAC2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O4/c1-21-6-2-5-16-12(18)8-17-11-4-3-9(15)7-10(11)13(19)14(17)20/h3-4,7H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyOGHLZEFMTJOPTA-UHFFFAOYSA-N
MW355.19 g/mol
LogP1.13
Rot. Bonds6

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

2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 61486272) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
PubChem CID61486272
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
InChIInChI=1S/C14H15BrN2O4/c1-21-6-2-5-16-12(18)8-17-11-4-3-9(15)7-10(11)13(19)14(17)20/h3-4,7H,2,5-6,8H2,1H3,(H,16,18)
InChIKeyOGHLZEFMTJOPTA-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butylacetamide
CID 61485417
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
N-butyl-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61485568
N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-3-methoxypropanamide
CID 108542690
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-bromo-1-(2-oxopentyl)indole-2,3-dione
CID 62041410
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
3-(5-bromo-2,3-dioxoindol-1-yl)-N-ethylpropanamide
CID 62325001
N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
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-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide (CID 61486272) is 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide?
The InChIKey is OGHLZEFMTJOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-21-6-2-5-16-12(18)8-17-11-4-3-9(15)7-10(11)13(19)14(17)20/h3-4,7H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide?
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 355.19 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dioxoindol-1-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61486272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).