[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate

C18H16BrNO4 — CID 2637278

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H16BrNO4/c1-23-13-6-7-15(19)14(10-13)18(22)24-11-17(21)20-9-8-12-4-2-3-5-16(12)20/h2-7,10H,8-9,11H2,1H3
InChIKeyKYFBHEJCEUIGTP-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.20
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate (PubChem CID 2637278) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate
PubChem CID2637278
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate
SMILESCOc1ccc(Br)c(C(=O)OCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H16BrNO4/c1-23-13-6-7-15(19)14(10-13)18(22)24-11-17(21)20-9-8-12-4-2-3-5-16(12)20/h2-7,10H,8-9,11H2,1H3
InChIKeyKYFBHEJCEUIGTP-UHFFFAOYSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate (CID 2637278) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate is COc1ccc(Br)c(C(=O)OCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate?
The InChIKey is KYFBHEJCEUIGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-23-13-6-7-15(19)14(10-13)18(22)24-11-17(21)20-9-8-12-4-2-3-5-16(12)20/h2-7,10H,8-9,11H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate has a molecular weight of 390.23 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-bromo-5-methoxybenzoate is sourced from PubChem (CID 2637278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).