N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H16Cl2N2O2 — CID 102656583

IUPACN-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Cl)c(NC(=O)COC2(C)CNC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-8-3-10(15)11(4-9(8)14)17-12(18)5-19-13(2)6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeySPTGCFXRJBENLI-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.62
Rot. Bonds4

About N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656583) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656583
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Cl)c(NC(=O)COC2(C)CNC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-8-3-10(15)11(4-9(8)14)17-12(18)5-19-13(2)6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeySPTGCFXRJBENLI-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656362
N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
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
methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102655772
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655692
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656583) is N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is Cc1cc(Cl)c(NC(=O)COC2(C)CNC2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is SPTGCFXRJBENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-8-3-10(15)11(4-9(8)14)17-12(18)5-19-13(2)6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 303.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).