4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

C16H14BrFN2O — CID 43191787

IUPAC4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1NCCc1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O/c17-12-2-1-3-13-14(12)15(16(21)20-13)19-9-8-10-4-6-11(18)7-5-10/h1-7,15,19H,8-9H2,(H,20,21)
InChIKeyXMWWPVCLPNNQMR-UHFFFAOYSA-N
MW349.20 g/mol
LogP3.41
Rot. Bonds4

About 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43191787) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43191787
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC Name4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Br)c2C1NCCc1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2O/c17-12-2-1-3-13-14(12)15(16(21)20-13)19-9-8-10-4-6-11(18)7-5-10/h1-7,15,19H,8-9H2,(H,20,21)
InChIKeyXMWWPVCLPNNQMR-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43191787) is 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is O=C1Nc2cccc(Br)c2C1NCCc1ccc(F)cc1.
What is the InChIKey of 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is XMWWPVCLPNNQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c17-12-2-1-3-13-14(12)15(16(21)20-13)19-9-8-10-4-6-11(18)7-5-10/h1-7,15,19H,8-9H2,(H,20,21).
What are the key properties of 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 349.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43191787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).