4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one

C20H22BrFN2O2 — CID 12071509

IUPAC4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
SMILESCCN(CC)CCN1C(=O)C(O)(c2ccccc2F)c2c(Br)cccc21
InChIInChI=1S/C20H22BrFN2O2/c1-3-23(4-2)12-13-24-17-11-7-9-15(21)18(17)20(26,19(24)25)14-8-5-6-10-16(14)22/h5-11,26H,3-4,12-13H2,1-2H3
InChIKeyLAJJKJSZGFUBSL-UHFFFAOYSA-N
MW421.31 g/mol
LogP3.51
Rot. Bonds6

About 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one

4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one (PubChem CID 12071509) has the molecular formula C20H22BrFN2O2 and a molecular weight of 421.31 g/mol. Its IUPAC name is 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one.

Molecular Properties

Compound Name4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
PubChem CID12071509
Molecular FormulaC20H22BrFN2O2
Molecular Weight421.31 g/mol
Exact Mass420.08
IUPAC Name4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one
SMILESCCN(CC)CCN1C(=O)C(O)(c2ccccc2F)c2c(Br)cccc21
InChIInChI=1S/C20H22BrFN2O2/c1-3-23(4-2)12-13-24-17-11-7-9-15(21)18(17)20(26,19(24)25)14-8-5-6-10-16(14)22/h5-11,26H,3-4,12-13H2,1-2H3
InChIKeyLAJJKJSZGFUBSL-UHFFFAOYSA-N
XLogP3.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The IUPAC name of 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one (CID 12071509) is 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one.
What is the SMILES notation for 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The canonical SMILES for 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one is CCN(CC)CCN1C(=O)C(O)(c2ccccc2F)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
The InChIKey is LAJJKJSZGFUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrFN2O2/c1-3-23(4-2)12-13-24-17-11-7-9-15(21)18(17)20(26,19(24)25)14-8-5-6-10-16(14)22/h5-11,26H,3-4,12-13H2,1-2H3.
What are the key properties of 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one?
4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one has a molecular weight of 421.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(diethylamino)ethyl]-3-(2-fluorophenyl)-3-hydroxyindol-2-one is sourced from PubChem (CID 12071509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).