N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C14H19ClN2O3 — CID 102611203

IUPACN-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCOc1ccc(NC(=O)COC2(C)CNC2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-3-19-12-5-4-10(6-11(12)15)17-13(18)7-20-14(2)8-16-9-14/h4-6,16H,3,7-9H2,1-2H3,(H,17,18)
InChIKeyDQTDZJJEBBOWKE-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.06
Rot. Bonds6

About N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611203) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611203
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCCOc1ccc(NC(=O)COC2(C)CNC2)cc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-3-19-12-5-4-10(6-11(12)15)17-13(18)7-20-14(2)8-16-9-14/h4-6,16H,3,7-9H2,1-2H3,(H,17,18)
InChIKeyDQTDZJJEBBOWKE-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
N-(3-ethylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102610774
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655770
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611280
N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979999
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
2-(tert-butylamino)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 49488972

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611203) is N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CCOc1ccc(NC(=O)COC2(C)CNC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is DQTDZJJEBBOWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-3-19-12-5-4-10(6-11(12)15)17-13(18)7-20-14(2)8-16-9-14/h4-6,16H,3,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 298.77 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).