2-chloro-N-(1-ethylazetidin-3-yl)acetamide

C7H13ClN2O — CID 126997562

IUPAC2-chloro-N-(1-ethylazetidin-3-yl)acetamide
SMILESCCN1CC(NC(=O)CCl)C1
InChIInChI=1S/C7H13ClN2O/c1-2-10-4-6(5-10)9-7(11)3-8/h6H,2-5H2,1H3,(H,9,11)
InChIKeyHPEKKHQWIJISRS-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.05
Rot. Bonds3

About 2-chloro-N-(1-ethylazetidin-3-yl)acetamide

2-chloro-N-(1-ethylazetidin-3-yl)acetamide (PubChem CID 126997562) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethylazetidin-3-yl)acetamide
PubChem CID126997562
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name2-chloro-N-(1-ethylazetidin-3-yl)acetamide
SMILESCCN1CC(NC(=O)CCl)C1
InChIInChI=1S/C7H13ClN2O/c1-2-10-4-6(5-10)9-7(11)3-8/h6H,2-5H2,1H3,(H,9,11)
InChIKeyHPEKKHQWIJISRS-UHFFFAOYSA-N
XLogP0.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)acetamide (CID 126997562) is 2-chloro-N-(1-ethylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-ethylazetidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1-ethylazetidin-3-yl)acetamide is CCN1CC(NC(=O)CCl)C1.
What is the InChIKey of 2-chloro-N-(1-ethylazetidin-3-yl)acetamide?
The InChIKey is HPEKKHQWIJISRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c1-2-10-4-6(5-10)9-7(11)3-8/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of 2-chloro-N-(1-ethylazetidin-3-yl)acetamide?
2-chloro-N-(1-ethylazetidin-3-yl)acetamide has a molecular weight of 176.65 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylazetidin-3-yl)acetamide is sourced from PubChem (CID 126997562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).