2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

C16H14N2O3 — CID 787847

IUPAC2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20)
InChIKeySIMWOBHMICDZEH-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.36
Rot. Bonds5

About 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 787847) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID787847
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C16H14N2O3/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20)
InChIKeySIMWOBHMICDZEH-UHFFFAOYSA-N
XLogP2.36
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 787847) is 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is O=Cc1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is SIMWOBHMICDZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-11-12-9-18(15-6-2-1-5-14(12)15)10-16(20)17-8-13-4-3-7-21-13/h1-7,9,11H,8,10H2,(H,17,20).
What are the key properties of 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 787847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).