4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one

C16H11BrN2O — CID 155758572

IUPAC4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1c1c[nH]c2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-11-5-3-7-13-15(11)14(16(20)19-13)10-8-18-12-6-2-1-4-9(10)12/h1-8,14,18H,(H,19,20)
InChIKeyBVNBLBTVGPHHOJ-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.01
Rot. Bonds1

About 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one

4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one (PubChem CID 155758572) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
PubChem CID155758572
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1c1c[nH]c2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-11-5-3-7-13-15(11)14(16(20)19-13)10-8-18-12-6-2-1-4-9(10)12/h1-8,14,18H,(H,19,20)
InChIKeyBVNBLBTVGPHHOJ-UHFFFAOYSA-N
XLogP4.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(4-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]ethanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one (CID 155758572) is 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one is O=C1Nc2cccc(Br)c2C1c1c[nH]c2ccccc12.
What is the InChIKey of 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
The InChIKey is BVNBLBTVGPHHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-11-5-3-7-13-15(11)14(16(20)19-13)10-8-18-12-6-2-1-4-9(10)12/h1-8,14,18H,(H,19,20).
What are the key properties of 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one?
4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one has a molecular weight of 327.18 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 155758572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).