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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Related Compounds

3-[(5-fluoro-2-methylphenyl)methyl]-3-hydroxy-1H-indol-2-one
CID 105372992
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
3-hydroxy-3-(thiophen-3-ylmethyl)-1H-indol-2-one
CID 83034918
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3R)-3-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 39890045
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
3-hydroxy-3-octyl-1H-indol-2-one
CID 83036797
(3S)-5-fluoro-3-hydroxy-3-(nitromethyl)-1H-indol-2-one
CID 129396744
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
(3S)-3-[(4-amino-3-methyl-1,2-oxazol-5-yl)methyl]-3-hydroxy-1H-indol-2-one
CID 139200280

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).