N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C12H15IN2O2 — CID 102610758

IUPACN-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(I)c2)CNC1
InChIInChI=1S/C12H15IN2O2/c1-12(7-14-8-12)17-6-11(16)15-10-4-2-3-9(13)5-10/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyDDSHZXWFTMLQKF-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.61
Rot. Bonds4

About N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102610758) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102610758
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(I)c2)CNC1
InChIInChI=1S/C12H15IN2O2/c1-12(7-14-8-12)17-6-11(16)15-10-4-2-3-9(13)5-10/h2-5,14H,6-8H2,1H3,(H,15,16)
InChIKeyDDSHZXWFTMLQKF-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.61
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

N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655770
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107583558
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611280
[2-(3-iodoanilino)-2-oxoethyl] 2,2-dimethylpropanoate
CID 23939818
[2-(3-iodoanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 23912620

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102610758) is N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2cccc(I)c2)CNC1.
What is the InChIKey of N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is DDSHZXWFTMLQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-12(7-14-8-12)17-6-11(16)15-10-4-2-3-9(13)5-10/h2-5,14H,6-8H2,1H3,(H,15,16).
What are the key properties of N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 346.17 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102610758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).