N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide

C16H11FN2O3 — CID 5079872

IUPACN-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc(F)c1)C(=O)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-9-4-3-5-10(8-9)18-16(22)14(20)13-11-6-1-2-7-12(11)19-15(13)21/h1-8,19,21H,(H,18,22)
InChIKeyBXPDHYKYTLWSQV-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.83
Rot. Bonds3

About N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide

N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 5079872) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide
PubChem CID5079872
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC NameN-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1cccc(F)c1)C(=O)c1c(O)[nH]c2ccccc12
InChIInChI=1S/C16H11FN2O3/c17-9-4-3-5-10(8-9)18-16(22)14(20)13-11-6-1-2-7-12(11)19-15(13)21/h1-8,19,21H,(H,18,22)
InChIKeyBXPDHYKYTLWSQV-UHFFFAOYSA-N
XLogP2.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.83
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 N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide (CID 5079872) is N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1cccc(F)c1)C(=O)c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is BXPDHYKYTLWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-9-4-3-5-10(8-9)18-16(22)14(20)13-11-6-1-2-7-12(11)19-15(13)21/h1-8,19,21H,(H,18,22).
What are the key properties of N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide?
N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 298.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-hydroxy-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 5079872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).