5-(azetidin-3-yloxy)-2-chlorobenzamide

C10H11ClN2O2 — CID 166747260

IUPAC5-(azetidin-3-yloxy)-2-chlorobenzamide
SMILESNC(=O)c1cc(OC2CNC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-9-2-1-6(3-8(9)10(12)14)15-7-4-13-5-7/h1-3,7,13H,4-5H2,(H2,12,14)
InChIKeyAHPYAZPCTMXNCD-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.79
Rot. Bonds3

About 5-(azetidin-3-yloxy)-2-chlorobenzamide

5-(azetidin-3-yloxy)-2-chlorobenzamide (PubChem CID 166747260) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-2-chlorobenzamide.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-2-chlorobenzamide
PubChem CID166747260
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-(azetidin-3-yloxy)-2-chlorobenzamide
SMILESNC(=O)c1cc(OC2CNC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O2/c11-9-2-1-6(3-8(9)10(12)14)15-7-4-13-5-7/h1-3,7,13H,4-5H2,(H2,12,14)
InChIKeyAHPYAZPCTMXNCD-UHFFFAOYSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-2-chlorobenzamide?
The IUPAC name of 5-(azetidin-3-yloxy)-2-chlorobenzamide (CID 166747260) is 5-(azetidin-3-yloxy)-2-chlorobenzamide.
What is the SMILES notation for 5-(azetidin-3-yloxy)-2-chlorobenzamide?
The canonical SMILES for 5-(azetidin-3-yloxy)-2-chlorobenzamide is NC(=O)c1cc(OC2CNC2)ccc1Cl.
What is the InChIKey of 5-(azetidin-3-yloxy)-2-chlorobenzamide?
The InChIKey is AHPYAZPCTMXNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-9-2-1-6(3-8(9)10(12)14)15-7-4-13-5-7/h1-3,7,13H,4-5H2,(H2,12,14).
What are the key properties of 5-(azetidin-3-yloxy)-2-chlorobenzamide?
5-(azetidin-3-yloxy)-2-chlorobenzamide has a molecular weight of 226.66 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-2-chlorobenzamide is sourced from PubChem (CID 166747260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).