N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C13H14FN3O2 — CID 102655756

IUPACN-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(F)c2C#N)CNC1
InChIInChI=1S/C13H14FN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-2-3-10(14)9(11)5-15/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyWKJVMKUMPFUZEV-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.01
Rot. Bonds4

About N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655756) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655756
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(F)c2C#N)CNC1
InChIInChI=1S/C13H14FN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-2-3-10(14)9(11)5-15/h2-4,16H,6-8H2,1H3,(H,17,18)
InChIKeyWKJVMKUMPFUZEV-UHFFFAOYSA-N
XLogP1.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656362
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
2-chloro-N-(2-cyano-3-fluorophenyl)acetamide
CID 2781266
2-amino-N-(2-cyano-3-fluorophenyl)acetamide
CID 43580746
2-(3-methylazetidin-3-yl)oxy-N-quinolin-8-ylacetamide
CID 102611786
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
N-(4-bromo-5-fluoro-2-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656627
N-(2-cyano-3-fluorophenyl)-2-(2-methoxyphenyl)acetamide
CID 43580433
N-(3-chloro-4-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655731

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655756) is N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2cccc(F)c2C#N)CNC1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is WKJVMKUMPFUZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-13(7-16-8-13)19-6-12(18)17-11-4-2-3-10(14)9(11)5-15/h2-4,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 263.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).