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

C18H16N2O2 — CID 775576

IUPAC2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O2/c1-13-6-8-15(9-7-13)19-18(22)11-20-10-14(12-21)16-4-2-3-5-17(16)20/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyVLFMSGNLCOSPQS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.40
Rot. Bonds4

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

2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 775576) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID775576
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1
InChIInChI=1S/C18H16N2O2/c1-13-6-8-15(9-7-13)19-18(22)11-20-10-14(12-21)16-4-2-3-5-17(16)20/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyVLFMSGNLCOSPQS-UHFFFAOYSA-N
XLogP3.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide (CID 775576) is 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is VLFMSGNLCOSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-6-8-15(9-7-13)19-18(22)11-20-10-14(12-21)16-4-2-3-5-17(16)20/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide?
2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 775576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).