5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione

C14H15BrFNO4 — CID 103410239

IUPAC5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C14H15BrFNO4/c1-20-5-6-21-4-2-3-17-12-8-11(16)10(15)7-9(12)13(18)14(17)19/h7-8H,2-6H2,1H3
InChIKeyCMCGZAIULKHKSJ-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.17
Rot. Bonds7

About 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione

5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione (PubChem CID 103410239) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
PubChem CID103410239
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione
SMILESCOCCOCCCN1C(=O)C(=O)c2cc(Br)c(F)cc21
InChIInChI=1S/C14H15BrFNO4/c1-20-5-6-21-4-2-3-17-12-8-11(16)10(15)7-9(12)13(18)14(17)19/h7-8H,2-6H2,1H3
InChIKeyCMCGZAIULKHKSJ-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The IUPAC name of 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione (CID 103410239) is 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione is COCCOCCCN1C(=O)C(=O)c2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
The InChIKey is CMCGZAIULKHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c1-20-5-6-21-4-2-3-17-12-8-11(16)10(15)7-9(12)13(18)14(17)19/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione?
5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione has a molecular weight of 360.18 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[3-(2-methoxyethoxy)propyl]indole-2,3-dione is sourced from PubChem (CID 103410239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).