2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide

C24H20N2O2 — CID 3650081

IUPAC2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O2/c1-17-11-13-19(14-12-17)25-23(27)16-26-15-21(20-9-5-6-10-22(20)26)24(28)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyLMJAUHNHEGADRV-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.82
Rot. Bonds5

About 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide

2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 3650081) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID3650081
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C24H20N2O2/c1-17-11-13-19(14-12-17)25-23(27)16-26-15-21(20-9-5-6-10-22(20)26)24(28)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,27)
InChIKeyLMJAUHNHEGADRV-UHFFFAOYSA-N
XLogP4.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide (CID 3650081) is 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is LMJAUHNHEGADRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-11-13-19(14-12-17)25-23(27)16-26-15-21(20-9-5-6-10-22(20)26)24(28)18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3650081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).