2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide

C11H11Br3N2O2 — CID 63281986

IUPAC2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H11Br3N2O2/c12-6-1-8(13)11(9(14)2-6)15-10(18)5-16-3-7(17)4-16/h1-2,7,17H,3-5H2,(H,15,18)
InChIKeyHDYOOTHLIPAEQT-UHFFFAOYSA-N
MW442.93 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide

2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 63281986) has the molecular formula C11H11Br3N2O2 and a molecular weight of 442.93 g/mol. Its IUPAC name is 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
PubChem CID63281986
Molecular FormulaC11H11Br3N2O2
Molecular Weight442.93 g/mol
Exact Mass439.84
IUPAC Name2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H11Br3N2O2/c12-6-1-8(13)11(9(14)2-6)15-10(18)5-16-3-7(17)4-16/h1-2,7,17H,3-5H2,(H,15,18)
InChIKeyHDYOOTHLIPAEQT-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962201
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 62660463
N-(2,4-dibromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62917994
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 119904986
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282563
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 102977405
4-hydroxy-N-(2,4,6-tribromophenyl)pentanamide
CID 79201496
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,6-dibromo-4-methylphenyl)acetamide;hydrochloride
CID 91659383
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide (CID 63281986) is 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide is O=C(CN1CC(O)C1)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is HDYOOTHLIPAEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3N2O2/c12-6-1-8(13)11(9(14)2-6)15-10(18)5-16-3-7(17)4-16/h1-2,7,17H,3-5H2,(H,15,18).
What are the key properties of 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide?
2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 442.93 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyazetidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 63281986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).