2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C16H16INO3 — CID 78849389

IUPAC2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESO=C(COc1ccc(I)cc1)NC1CCCc2occc21
InChIInChI=1S/C16H16INO3/c17-11-4-6-12(7-5-11)21-10-16(19)18-14-2-1-3-15-13(14)8-9-20-15/h4-9,14H,1-3,10H2,(H,18,19)
InChIKeyPCJOEYGMPDBDBF-UHFFFAOYSA-N
MW397.21 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 78849389) has the molecular formula C16H16INO3 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID78849389
Molecular FormulaC16H16INO3
Molecular Weight397.21 g/mol
Exact Mass397.02
IUPAC Name2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESO=C(COc1ccc(I)cc1)NC1CCCc2occc21
InChIInChI=1S/C16H16INO3/c17-11-4-6-12(7-5-11)21-10-16(19)18-14-2-1-3-15-13(14)8-9-20-15/h4-9,14H,1-3,10H2,(H,18,19)
InChIKeyPCJOEYGMPDBDBF-UHFFFAOYSA-N
XLogP3.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
2-(3-acetylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923871
1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927702
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
3-(3-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78865142
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 78849389) is 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is O=C(COc1ccc(I)cc1)NC1CCCc2occc21.
What is the InChIKey of 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is PCJOEYGMPDBDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3/c17-11-4-6-12(7-5-11)21-10-16(19)18-14-2-1-3-15-13(14)8-9-20-15/h4-9,14H,1-3,10H2,(H,18,19).
What are the key properties of 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 397.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 78849389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).