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

C12H15BrN2O2 — CID 83066087

IUPACN-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(Br)c2)CNC1
InChIInChI=1S/C12H15BrN2O2/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)
InChIKeyOUHBXELLLMIXOZ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.77
Rot. Bonds4

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

N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 83066087) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID83066087
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(Br)c2)CNC1
InChIInChI=1S/C12H15BrN2O2/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)
InChIKeyOUHBXELLLMIXOZ-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610758
N-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzamide
CID 102656067
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-(3-bromo-5-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 107583558
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
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
N-(2-bromo-4-nitrophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655824
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656627

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 83066087) is N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2cccc(Br)c2)CNC1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is OUHBXELLLMIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/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-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 299.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 83066087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).