N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

C11H12BrFN2O2 — CID 55171695

IUPACN-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O2/c12-7-1-2-10(9(13)3-7)14-11(17)6-15-4-8(16)5-15/h1-3,8,16H,4-6H2,(H,14,17)
InChIKeyJEADIBGCEDYLOS-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.20
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (PubChem CID 55171695) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
PubChem CID55171695
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C1)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H12BrFN2O2/c12-7-1-2-10(9(13)3-7)14-11(17)6-15-4-8(16)5-15/h1-3,8,16H,4-6H2,(H,14,17)
InChIKeyJEADIBGCEDYLOS-UHFFFAOYSA-N
XLogP1.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide (CID 55171695) is N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is O=C(CN1CC(O)C1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
The InChIKey is JEADIBGCEDYLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c12-7-1-2-10(9(13)3-7)14-11(17)6-15-4-8(16)5-15/h1-3,8,16H,4-6H2,(H,14,17).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide has a molecular weight of 303.13 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide is sourced from PubChem (CID 55171695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).