5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one

C15H11BrFNO — CID 2994360

IUPAC5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccccc1F
InChIInChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19)
InChIKeyZUIDXENKQIXGAX-UHFFFAOYSA-N
MW320.16 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one

5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 2994360) has the molecular formula C15H11BrFNO and a molecular weight of 320.16 g/mol. Its IUPAC name is 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID2994360
Molecular FormulaC15H11BrFNO
Molecular Weight320.16 g/mol
Exact Mass319.00
IUPAC Name5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1Cc1ccccc1F
InChIInChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19)
InChIKeyZUIDXENKQIXGAX-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one (CID 2994360) is 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1Cc1ccccc1F.
What is the InChIKey of 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZUIDXENKQIXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO/c16-10-5-6-14-11(8-10)12(15(19)18-14)7-9-3-1-2-4-13(9)17/h1-6,8,12H,7H2,(H,18,19).
What are the key properties of 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one?
5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 320.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2-fluorophenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 2994360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).