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

C13H17BrN2O2 — CID 107583558

IUPACN-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Br)cc(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-3-10(14)5-11(4-9)16-12(17)6-18-13(2)7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyHALZHKPIAXOGQU-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.07
Rot. Bonds4

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

N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 107583558) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID107583558
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Br)cc(NC(=O)COC2(C)CNC2)c1
InChIInChI=1S/C13H17BrN2O2/c1-9-3-10(14)5-11(4-9)16-12(17)6-18-13(2)7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyHALZHKPIAXOGQU-UHFFFAOYSA-N
XLogP2.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(2,6-dibromo-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655724
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
2-(3-methylazetidin-3-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 102611018
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656627
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 107583558) is N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is Cc1cc(Br)cc(NC(=O)COC2(C)CNC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is HALZHKPIAXOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-3-10(14)5-11(4-9)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-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 313.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 107583558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).