2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide

C19H19IN2O3 — CID 11224721

IUPAC2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide
SMILESCC(=O)n1cc(CC(=O)N(CCCI)c2ccco2)c2ccccc21
InChIInChI=1S/C19H19IN2O3/c1-14(23)22-13-15(16-6-2-3-7-17(16)22)12-18(24)21(10-5-9-20)19-8-4-11-25-19/h2-4,6-8,11,13H,5,9-10,12H2,1H3
InChIKeyIWIJIULESFWNEV-UHFFFAOYSA-N
MW450.28 g/mol
LogP4.30
Rot. Bonds6

About 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide

2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide (PubChem CID 11224721) has the molecular formula C19H19IN2O3 and a molecular weight of 450.28 g/mol. Its IUPAC name is 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide.

Molecular Properties

Compound Name2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide
PubChem CID11224721
Molecular FormulaC19H19IN2O3
Molecular Weight450.28 g/mol
Exact Mass450.04
IUPAC Name2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide
SMILESCC(=O)n1cc(CC(=O)N(CCCI)c2ccco2)c2ccccc21
InChIInChI=1S/C19H19IN2O3/c1-14(23)22-13-15(16-6-2-3-7-17(16)22)12-18(24)21(10-5-9-20)19-8-4-11-25-19/h2-4,6-8,11,13H,5,9-10,12H2,1H3
InChIKeyIWIJIULESFWNEV-UHFFFAOYSA-N
XLogP4.30
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide?
The IUPAC name of 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide (CID 11224721) is 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide.
What is the SMILES notation for 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide?
The canonical SMILES for 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide is CC(=O)n1cc(CC(=O)N(CCCI)c2ccco2)c2ccccc21.
What is the InChIKey of 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide?
The InChIKey is IWIJIULESFWNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O3/c1-14(23)22-13-15(16-6-2-3-7-17(16)22)12-18(24)21(10-5-9-20)19-8-4-11-25-19/h2-4,6-8,11,13H,5,9-10,12H2,1H3.
What are the key properties of 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide?
2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide has a molecular weight of 450.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylindol-3-yl)-N-(furan-2-yl)-N-(3-iodopropyl)acetamide is sourced from PubChem (CID 11224721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).