5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C16H11BrFNO3 — CID 2802989

IUPAC5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H11BrFNO3/c17-10-3-6-13-12(7-10)16(22,15(21)19-13)8-14(20)9-1-4-11(18)5-2-9/h1-7,22H,8H2,(H,19,21)
InChIKeyRGRYTUFCLXMTEC-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 2802989) has the molecular formula C16H11BrFNO3 and a molecular weight of 364.17 g/mol. Its IUPAC name is 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID2802989
Molecular FormulaC16H11BrFNO3
Molecular Weight364.17 g/mol
Exact Mass362.99
IUPAC Name5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1
InChIInChI=1S/C16H11BrFNO3/c17-10-3-6-13-12(7-10)16(22,15(21)19-13)8-14(20)9-1-4-11(18)5-2-9/h1-7,22H,8H2,(H,19,21)
InChIKeyRGRYTUFCLXMTEC-UHFFFAOYSA-N
XLogP3.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-hydroxy-3-phenylindolin-2-one
CID 4256987
5-bromo-3-(4-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5297654
Mls003115172
CID 314749
N-{3-[2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]phenyl}methanesulfonamide
CID 3240712
3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 3242879
5-bromo-1-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 4154150
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
3-Hydroxy-3-phenacyloxindole
CID 99051
5-Bromo-1,3-dihydro-3-hydroxy-3-(2-oxopropyl)-2H-indol-2-one
CID 53471
1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2924811
methyl {3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2937814
N-{4-[2-(5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]phenyl}ethanesulfonamide
CID 3238764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 2802989) is 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is RGRYTUFCLXMTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO3/c17-10-3-6-13-12(7-10)16(22,15(21)19-13)8-14(20)9-1-4-11(18)5-2-9/h1-7,22H,8H2,(H,19,21).
What are the key properties of 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 364.17 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2802989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).