5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one

C18H18BrNO4 — CID 2949878

IUPAC5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO4/c1-2-3-8-20-14-7-6-12(19)10-13(14)18(23,17(20)22)11-15(21)16-5-4-9-24-16/h4-7,9-10,23H,2-3,8,11H2,1H3
InChIKeyRGNMADFPMXWDEO-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.65
Rot. Bonds6

About 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one

5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 2949878) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID2949878
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO4/c1-2-3-8-20-14-7-6-12(19)10-13(14)18(23,17(20)22)11-15(21)16-5-4-9-24-16/h4-7,9-10,23H,2-3,8,11H2,1H3
InChIKeyRGNMADFPMXWDEO-UHFFFAOYSA-N
XLogP3.65
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 2949878) is 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one is CCCCN1C(=O)C(O)(CC(=O)c2ccco2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is RGNMADFPMXWDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-2-3-8-20-14-7-6-12(19)10-13(14)18(23,17(20)22)11-15(21)16-5-4-9-24-16/h4-7,9-10,23H,2-3,8,11H2,1H3.
What are the key properties of 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one?
5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 392.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 2949878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).