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

C12H12INO3 — CID 58413548

IUPAC2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1cccc(I)c1)N[C@@H]1CCOC1=O
InChIInChI=1S/C12H12INO3/c13-9-3-1-2-8(6-9)7-11(15)14-10-4-5-17-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m1/s1
InChIKeyKBUNROHADPJPKR-SNVBAGLBSA-N
MW345.14 g/mol
LogP1.27
Rot. Bonds3

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

2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide (PubChem CID 58413548) has the molecular formula C12H12INO3 and a molecular weight of 345.14 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide
PubChem CID58413548
Molecular FormulaC12H12INO3
Molecular Weight345.14 g/mol
Exact Mass344.99
IUPAC Name2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1cccc(I)c1)N[C@@H]1CCOC1=O
InChIInChI=1S/C12H12INO3/c13-9-3-1-2-8(6-9)7-11(15)14-10-4-5-17-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m1/s1
InChIKeyKBUNROHADPJPKR-SNVBAGLBSA-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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Related Compounds

3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
1-cyclopentyl-2-(3-iodophenyl)ethanone
CID 158596925
2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide
CID 174054263
2-(4a,8a-dihydronaphthalen-1-yl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25015044
1-benzyl-3-[(3S)-2-oxooxolan-3-yl]thiourea
CID 7638193
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide (CID 58413548) is 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide is O=C(Cc1cccc(I)c1)N[C@@H]1CCOC1=O.
What is the InChIKey of 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide?
The InChIKey is KBUNROHADPJPKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12INO3/c13-9-3-1-2-8(6-9)7-11(15)14-10-4-5-17-12(10)16/h1-3,6,10H,4-5,7H2,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide?
2-(3-iodophenyl)-N-[(3R)-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-(3-iodophenyl)-N-[(3R)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 58413548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).