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

C17H14N2O2 — CID 3149444

IUPAC2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)19-17(21)16(20)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3,(H,19,21)
InChIKeyLNSNZJAJEBFPSO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.30
Rot. Bonds3

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

2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 3149444) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID3149444
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)19-17(21)16(20)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3,(H,19,21)
InChIKeyLNSNZJAJEBFPSO-UHFFFAOYSA-N
XLogP3.30
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide (CID 3149444) is 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is LNSNZJAJEBFPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-6-8-12(9-7-11)19-17(21)16(20)14-10-18-15-5-3-2-4-13(14)15/h2-10,18H,1H3,(H,19,21).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide?
2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 278.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 3149444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).