N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H14ClN3O2 — CID 102656362

IUPACN-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cc(C#N)ccc2Cl)CNC1
InChIInChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-9(5-15)2-3-10(11)14/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyMWMIPBAOJMBMSF-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.53
Rot. Bonds4

About N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656362) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656362
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cc(C#N)ccc2Cl)CNC1
InChIInChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-9(5-15)2-3-10(11)14/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyMWMIPBAOJMBMSF-UHFFFAOYSA-N
XLogP1.53
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731
N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655756
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655692
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
N-(5-iodo-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114257326
2-(3-methylazetidin-3-yl)oxy-N-(2-methyl-4-nitrophenyl)acetamide
CID 102655811
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
4-amino-N-(2-chloro-5-cyanophenyl)-3-methylbutanamide
CID 81079180
methyl 4-methyl-3-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102610803
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655891

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656362) is N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2cc(C#N)ccc2Cl)CNC1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is MWMIPBAOJMBMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-9(5-15)2-3-10(11)14/h2-4,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 279.73 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).