N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide

C₁₂H₁₅ClN₂O — CID 66182738

About N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide

N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide (PubChem CID 66182738) has the molecular formula C₁₂H₁₅ClN₂O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide.

Molecular Properties

• Compound Name: N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
• PubChem CID: 66182738
• Molecular Formula: C₁₂H₁₅ClN₂O
• Molecular Weight: 238.72 g/mol
• Exact Mass: 238.09
• IUPAC Name: N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
• SMILES: CCN(C(=O)c1ccccc1Cl)C1CNC1
• InChI: InChI=1S/C12H15ClN2O/c1-2-15(9-7-14-8-9)12(16)10-5-3-4-6-11(10)13/h3-6,9,14H,2,7-8H2,1H3
• InChIKey: RUSBACNWDBVFMB-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.72
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?

The IUPAC name of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide (CID 66182738) is N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide.

What is the SMILES notation for N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?

The canonical SMILES for N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide is CCN(C(=O)c1ccccc1Cl)C1CNC1.

What is the InChIKey of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?

The InChIKey is RUSBACNWDBVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-2-15(9-7-14-8-9)12(16)10-5-3-4-6-11(10)13/h3-6,9,14H,2,7-8H2,1H3.

What are the key properties of N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide?

N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide has a molecular weight of 238.72 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide is sourced from PubChem (CID 66182738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 66182738 — identifiers, structure, computed properties (public domain)

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