3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one

C15H11F2NO2 — CID 83034401

IUPAC3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO2/c16-10-6-5-9(12(17)7-10)8-15(20)11-3-1-2-4-13(11)18-14(15)19/h1-7,20H,8H2,(H,18,19)
InChIKeyILJRXSSQENCPED-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.35
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one

3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one (PubChem CID 83034401) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
PubChem CID83034401
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO2/c16-10-6-5-9(12(17)7-10)8-15(20)11-3-1-2-4-13(11)18-14(15)19/h1-7,20H,8H2,(H,18,19)
InChIKeyILJRXSSQENCPED-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one (CID 83034401) is 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2C1(O)Cc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is ILJRXSSQENCPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-10-6-5-9(12(17)7-10)8-15(20)11-3-1-2-4-13(11)18-14(15)19/h1-7,20H,8H2,(H,18,19).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one?
3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 275.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 83034401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).