2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H17F3N2O2 — CID 102611007

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC1(OCC(=O)NCc2ccc(C(F)(F)F)cc2)CNC1
InChIInChI=1S/C14H17F3N2O2/c1-13(8-18-9-13)21-7-12(20)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyYWAJWMPBJKDDRV-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.70
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 102611007) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID102611007
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC1(OCC(=O)NCc2ccc(C(F)(F)F)cc2)CNC1
InChIInChI=1S/C14H17F3N2O2/c1-13(8-18-9-13)21-7-12(20)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20)
InChIKeyYWAJWMPBJKDDRV-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
[2-oxo-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 87548997
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611713
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,5-dimethoxybenzoate
CID 50929520
[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl] 3,4-dimethylbenzoate
CID 50929593
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 102611007) is 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is CC1(OCC(=O)NCc2ccc(C(F)(F)F)cc2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is YWAJWMPBJKDDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-13(8-18-9-13)21-7-12(20)19-6-10-2-4-11(5-3-10)14(15,16)17/h2-5,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 102611007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).