3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid

C16H12FNO3 — CID 175478040

IUPAC3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid
SMILESCc1ccc(C2(F)C(=O)N(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C16H12FNO3/c1-10-6-8-11(9-7-10)16(17)12-4-2-3-5-13(12)18(14(16)19)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyPLHSAQZURRAVEO-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.23
Rot. Bonds1

About 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid

3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid (PubChem CID 175478040) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid
PubChem CID175478040
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid
SMILESCc1ccc(C2(F)C(=O)N(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C16H12FNO3/c1-10-6-8-11(9-7-10)16(17)12-4-2-3-5-13(12)18(14(16)19)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyPLHSAQZURRAVEO-UHFFFAOYSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid (CID 175478040) is 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid is Cc1ccc(C2(F)C(=O)N(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid?
The InChIKey is PLHSAQZURRAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-10-6-8-11(9-7-10)16(17)12-4-2-3-5-13(12)18(14(16)19)15(20)21/h2-9H,1H3,(H,20,21).
What are the key properties of 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid?
3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methylphenyl)-2-oxoindole-1-carboxylic acid is sourced from PubChem (CID 175478040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).