2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide

C11H9FN2O3 — CID 176890965

IUPAC2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1c[nH]c2cc(F)cc(O)c12
InChIInChI=1S/C11H9FN2O3/c1-13-11(17)10(16)6-4-14-7-2-5(12)3-8(15)9(6)7/h2-4,14-15H,1H3,(H,13,17)
InChIKeyQPRVOVUISCUFAL-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.94
Rot. Bonds2

About 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide

2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide (PubChem CID 176890965) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
PubChem CID176890965
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1c[nH]c2cc(F)cc(O)c12
InChIInChI=1S/C11H9FN2O3/c1-13-11(17)10(16)6-4-14-7-2-5(12)3-8(15)9(6)7/h2-4,14-15H,1H3,(H,13,17)
InChIKeyQPRVOVUISCUFAL-UHFFFAOYSA-N
XLogP0.94
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide (CID 176890965) is 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1c[nH]c2cc(F)cc(O)c12.
What is the InChIKey of 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
The InChIKey is QPRVOVUISCUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-13-11(17)10(16)6-4-14-7-2-5(12)3-8(15)9(6)7/h2-4,14-15H,1H3,(H,13,17).
What are the key properties of 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide?
2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide has a molecular weight of 236.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-hydroxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 176890965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).