2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide

C24H21N3O3 — CID 71827899

IUPAC2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-17(28)25-22-8-5-9-23-21(22)14-15-27(23)16-24(29)26-18-10-12-20(13-11-18)30-19-6-3-2-4-7-19/h2-15H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyCSUBUROJIUFUCY-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.03
Rot. Bonds6

About 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide

2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide (PubChem CID 71827899) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
PubChem CID71827899
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide
SMILESCC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21N3O3/c1-17(28)25-22-8-5-9-23-21(22)14-15-27(23)16-24(29)26-18-10-12-20(13-11-18)30-19-6-3-2-4-7-19/h2-15H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyCSUBUROJIUFUCY-UHFFFAOYSA-N
XLogP5.03
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoindol-1-yl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 121238755
2-(4-acetamidoindol-1-yl)-N-(3-acetylphenyl)acetamide
CID 71828766
2-(4-acetamidoindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 71828241
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
methyl (2S)-2-[[2-(4-acetamidoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 91638079
2-(4-acetamidoindol-1-yl)-N-cyclohexylacetamide
CID 71829005
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
N-[1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]indol-4-yl]acetamide
CID 71828394
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-(4-acetamidoindol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 86207362
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
2-(3-acetylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 1088565

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide (CID 71827899) is 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide is CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is CSUBUROJIUFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17(28)25-22-8-5-9-23-21(22)14-15-27(23)16-24(29)26-18-10-12-20(13-11-18)30-19-6-3-2-4-7-19/h2-15H,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide?
2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoindol-1-yl)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 71827899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).