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

C17H14FNO3 — CID 2914726

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C17H14FNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyBBRDCEAERQXATM-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.55
Rot. Bonds3

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

3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (PubChem CID 2914726) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
PubChem CID2914726
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(F)cc1)C(=O)N2
InChIInChI=1S/C17H14FNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyBBRDCEAERQXATM-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (CID 2914726) is 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)C(O)(CC(=O)c1ccc(F)cc1)C(=O)N2.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The InChIKey is BBRDCEAERQXATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21).
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one has a molecular weight of 299.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is sourced from PubChem (CID 2914726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).