2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H12INO3 — CID 25014705

IUPAC2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc(I)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyIMJUHEKUNKCNGB-JTQLQIEISA-N
MW345.14 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 25014705) has the molecular formula C12H12INO3 and a molecular weight of 345.14 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID25014705
Molecular FormulaC12H12INO3
Molecular Weight345.14 g/mol
Exact Mass344.99
IUPAC Name2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc(I)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1
InChIKeyIMJUHEKUNKCNGB-JTQLQIEISA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 25014705) is 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cc1ccc(I)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is IMJUHEKUNKCNGB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12INO3/c13-9-3-1-8(2-4-9)7-11(15)14-10-5-6-17-12(10)16/h1-4,10H,5-7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 345.14 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 25014705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).