2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide

C12H13IN2O3 — CID 130340818

IUPAC2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc(I)cc1)N[C@H]1CCNC1=O
InChIInChI=1S/C12H13IN2O3/c13-8-1-3-9(4-2-8)18-7-11(16)15-10-5-6-14-12(10)17/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyAMBBPYRWVYEIGF-JTQLQIEISA-N
MW360.15 g/mol
LogP0.67
Rot. Bonds4

About 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide

2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 130340818) has the molecular formula C12H13IN2O3 and a molecular weight of 360.15 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
PubChem CID130340818
Molecular FormulaC12H13IN2O3
Molecular Weight360.15 g/mol
Exact Mass360.00
IUPAC Name2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
SMILESO=C(COc1ccc(I)cc1)N[C@H]1CCNC1=O
InChIInChI=1S/C12H13IN2O3/c13-8-1-3-9(4-2-8)18-7-11(16)15-10-5-6-14-12(10)17/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1
InChIKeyAMBBPYRWVYEIGF-JTQLQIEISA-N
XLogP0.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
2-(4-iodophenoxy)-N-piperidin-4-ylacetamide
CID 119389070
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
N-[(3S)-2-oxopiperidin-3-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 95048353
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
3-(4-aminophenoxy)-N-(2-oxopiperidin-3-yl)propanamide
CID 62094525
2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
N-cyclopentyl-2-[4-[(3R)-2-oxoazepan-3-yl]oxyphenoxy]acetamide
CID 95290042
2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide
CID 167848010
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
4-(4-ethoxyphenyl)-4-oxo-N-(2-oxopiperidin-3-yl)butanamide
CID 51099351
4-(4-ethoxyphenyl)-4-oxo-N-[(3S)-2-oxopiperidin-3-yl]butanamide
CID 94799342

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide (CID 130340818) is 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide is O=C(COc1ccc(I)cc1)N[C@H]1CCNC1=O.
What is the InChIKey of 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is AMBBPYRWVYEIGF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13IN2O3/c13-8-1-3-9(4-2-8)18-7-11(16)15-10-5-6-14-12(10)17/h1-4,10H,5-7H2,(H,14,17)(H,15,16)/t10-/m0/s1.
What are the key properties of 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide?
2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 360.15 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130340818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).