N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

C16H12N2O3 — CID 10802681

IUPACN-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)18-16(21)15(20)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H,18,21)
InChIKeyVMPQBUGJRFCFFH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.69
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide

N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 10802681) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID10802681
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)18-16(21)15(20)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H,18,21)
InChIKeyVMPQBUGJRFCFFH-UHFFFAOYSA-N
XLogP2.69
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 10802681) is N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is VMPQBUGJRFCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-11-7-5-10(6-8-11)18-16(21)15(20)13-9-17-14-4-2-1-3-12(13)14/h1-9,17,19H,(H,18,21).
What are the key properties of N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 280.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 10802681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).