2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide

C12H13I3N2O2 — CID 63468164

IUPAC2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C12H13I3N2O2/c13-7-3-9(14)12(10(15)4-7)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6H2,(H,16,19)
InChIKeyVOACGWNORLJDPG-UHFFFAOYSA-N
MW597.96 g/mol
LogP2.51
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide

2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide (PubChem CID 63468164) has the molecular formula C12H13I3N2O2 and a molecular weight of 597.96 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
PubChem CID63468164
Molecular FormulaC12H13I3N2O2
Molecular Weight597.96 g/mol
Exact Mass597.81
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
SMILESO=C(CN1CCC(O)C1)Nc1c(I)cc(I)cc1I
InChIInChI=1S/C12H13I3N2O2/c13-7-3-9(14)12(10(15)4-7)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6H2,(H,16,19)
InChIKeyVOACGWNORLJDPG-UHFFFAOYSA-N
XLogP2.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.96
LogP ≤ 52.51
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-hydroxypiperidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 60641561
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 78962531
N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
N-(4-amino-2,6-dichlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55131355
2-[1-[2-oxo-2-(2,4,6-triiodoanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618325
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,4,6-triiodophenyl)acetamide
CID 79028646
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 62941898
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(5-fluoro-2-methylphenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917861

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide (CID 63468164) is 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide is O=C(CN1CCC(O)C1)Nc1c(I)cc(I)cc1I.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
The InChIKey is VOACGWNORLJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13I3N2O2/c13-7-3-9(14)12(10(15)4-7)16-11(19)6-17-2-1-8(18)5-17/h3-4,8,18H,1-2,5-6H2,(H,16,19).
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide?
2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide has a molecular weight of 597.96 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide is sourced from PubChem (CID 63468164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).