5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one

C17H16FNO2 — CID 82173331

IUPAC5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(C(O)c3ccccc3)cc(F)cc21
InChIInChI=1S/C17H16FNO2/c1-17(2)13-9-11(18)8-12(14(13)19-16(17)21)15(20)10-6-4-3-5-7-10/h3-9,15,20H,1-2H3,(H,19,21)
InChIKeyMZYBCAYLLOPQCW-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.14
Rot. Bonds2

About 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one

5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173331) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID82173331
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(C(O)c3ccccc3)cc(F)cc21
InChIInChI=1S/C17H16FNO2/c1-17(2)13-9-11(18)8-12(14(13)19-16(17)21)15(20)10-6-4-3-5-7-10/h3-9,15,20H,1-2H3,(H,19,21)
InChIKeyMZYBCAYLLOPQCW-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one (CID 82173331) is 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(C(O)c3ccccc3)cc(F)cc21.
What is the InChIKey of 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is MZYBCAYLLOPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-17(2)13-9-11(18)8-12(14(13)19-16(17)21)15(20)10-6-4-3-5-7-10/h3-9,15,20H,1-2H3,(H,19,21).
What are the key properties of 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one?
5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).