N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide

C13H17ClN2O2 — CID 66182970

IUPACN-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C13H17ClN2O2/c1-2-16(11-7-15-8-11)13(17)9-18-12-5-3-10(14)4-6-12/h3-6,11,15H,2,7-9H2,1H3
InChIKeyYCTQBTXNKZRRGV-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.54
Rot. Bonds5

About N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide

N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide (PubChem CID 66182970) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
PubChem CID66182970
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(Cl)cc1)C1CNC1
InChIInChI=1S/C13H17ClN2O2/c1-2-16(11-7-15-8-11)13(17)9-18-12-5-3-10(14)4-6-12/h3-6,11,15H,2,7-9H2,1H3
InChIKeyYCTQBTXNKZRRGV-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
N-cyclopropyl-N-ethyl-2-(4-fluoro-3-methylphenoxy)acetamide
CID 81421978
N-ethyl-2-(4-nitrophenoxy)-N-pyrrolidin-3-ylacetamide
CID 82177122
N-(azetidin-3-yl)-N-ethyl-2-methoxyacetamide
CID 66182532
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-cyclohexyl-N-ethyl-2-(4-methylsulfanylphenoxy)acetamide
CID 134007878
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 139517667
2-(3-chloro-4-fluorophenoxy)-N-piperidin-4-yl-N-propylacetamide
CID 119824506
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide (CID 66182970) is N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide is CCN(C(=O)COc1ccc(Cl)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide?
The InChIKey is YCTQBTXNKZRRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-16(11-7-15-8-11)13(17)9-18-12-5-3-10(14)4-6-12/h3-6,11,15H,2,7-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide?
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide has a molecular weight of 268.74 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide is sourced from PubChem (CID 66182970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).