4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline

C17H14INO — CID 67167248

IUPAC4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2cc3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO/c1-19-15-6-2-12(3-7-15)4-8-16-11-13-10-14(18)5-9-17(13)20-16/h2-11,19H,1H3
InChIKeyUXRYODJHGQXPQZ-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.25
Rot. Bonds3

About 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline

4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline (PubChem CID 67167248) has the molecular formula C17H14INO and a molecular weight of 375.21 g/mol. Its IUPAC name is 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
PubChem CID67167248
Molecular FormulaC17H14INO
Molecular Weight375.21 g/mol
Exact Mass375.01
IUPAC Name4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline
SMILESCNc1ccc(C=Cc2cc3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO/c1-19-15-6-2-12(3-7-15)4-8-16-11-13-10-14(18)5-9-17(13)20-16/h2-11,19H,1H3
InChIKeyUXRYODJHGQXPQZ-UHFFFAOYSA-N
XLogP5.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline (CID 67167248) is 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline is CNc1ccc(C=Cc2cc3cc(I)ccc3o2)cc1.
What is the InChIKey of 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
The InChIKey is UXRYODJHGQXPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO/c1-19-15-6-2-12(3-7-15)4-8-16-11-13-10-14(18)5-9-17(13)20-16/h2-11,19H,1H3.
What are the key properties of 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline?
4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline has a molecular weight of 375.21 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-iodo-1-benzofuran-2-yl)ethenyl]-N-methylaniline is sourced from PubChem (CID 67167248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).