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

C13H14ClN3O2 — CID 102655731

IUPACN-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc(C#N)c(Cl)c2)CNC1
InChIInChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-10-3-2-9(5-15)11(14)4-10/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyPSYKFKPSBJNWKE-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.53
Rot. Bonds4

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

N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655731) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655731
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc(C#N)c(Cl)c2)CNC1
InChIInChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-10-3-2-9(5-15)11(14)4-10/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyPSYKFKPSBJNWKE-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-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611203
N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656362
N-(3-chloro-4-cyanophenyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65460986
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655770
N-(3-acetamido-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611178
2-(3-methylazetidin-3-yl)oxy-N-(4-methyl-3-nitrophenyl)acetamide
CID 102610693
N-(3-bromophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83066087
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
CID 79463983
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014507

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655731) is N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2ccc(C#N)c(Cl)c2)CNC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is PSYKFKPSBJNWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(7-16-8-13)19-6-12(18)17-10-3-2-9(5-15)11(14)4-10/h2-4,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(3-chloro-4-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-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).