N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H17IN2O2 — CID 114257326

IUPACN-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1ccc(I)cc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H17IN2O2/c1-9-3-4-10(14)5-11(9)16-12(17)6-18-13(2)7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyHVHHSZVUFMEYQO-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.92
Rot. Bonds4

About N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 114257326) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID114257326
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC NameN-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1ccc(I)cc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H17IN2O2/c1-9-3-4-10(14)5-11(9)16-12(17)6-18-13(2)7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyHVHHSZVUFMEYQO-UHFFFAOYSA-N
XLogP1.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.92
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

methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656627
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
2-(3-methylazetidin-3-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 102611018
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 102656577
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-(2,6-dibromo-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655724
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 114257326) is N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is Cc1ccc(I)cc1NC(=O)COC1(C)CNC1.
What is the InChIKey of N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is HVHHSZVUFMEYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-9-3-4-10(14)5-11(9)16-12(17)6-18-13(2)7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 360.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 114257326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).