N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H16BrFN2O2 — CID 102656627

IUPACN-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Br)c(F)cc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H16BrFN2O2/c1-8-3-9(14)10(15)4-11(8)17-12(18)5-19-13(2)6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyXBYFEEFHPMMPCB-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.21
Rot. Bonds4

About N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656627) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656627
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC NameN-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(Br)c(F)cc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C13H16BrFN2O2/c1-8-3-9(14)10(15)4-11(8)17-12(18)5-19-13(2)6-16-7-13/h3-4,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyXBYFEEFHPMMPCB-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655724
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107583558
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-(2-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824
N-hydroxy-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656216
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 102656577
N-(3-methoxy-2,4-dimethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611343

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656627) is N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is Cc1cc(Br)c(F)cc1NC(=O)COC1(C)CNC1.
What is the InChIKey of N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is XBYFEEFHPMMPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-8-3-9(14)10(15)4-11(8)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-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 331.19 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).