1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid

C16H12FNO3 — CID 90488080

IUPAC1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-13-4-1-10(2-5-13)9-18-14-6-3-11(16(20)21)7-12(14)8-15(18)19/h1-7H,8-9H2,(H,20,21)
InChIKeyLJQUSGYAYQOFNM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.61
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid

1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 90488080) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
PubChem CID90488080
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C16H12FNO3/c17-13-4-1-10(2-5-13)9-18-14-6-3-11(16(20)21)7-12(14)8-15(18)19/h1-7H,8-9H2,(H,20,21)
InChIKeyLJQUSGYAYQOFNM-UHFFFAOYSA-N
XLogP2.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid (CID 90488080) is 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid is O=C(O)c1ccc2c(c1)CC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is LJQUSGYAYQOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-13-4-1-10(2-5-13)9-18-14-6-3-11(16(20)21)7-12(14)8-15(18)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid?
1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 285.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 90488080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).