N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C13H14ClF3N2O2 — CID 102655692

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CNC1
InChIInChI=1S/C13H14ClF3N2O2/c1-12(6-18-7-12)21-5-11(20)19-10-3-2-8(14)4-9(10)13(15,16)17/h2-4,18H,5-7H2,1H3,(H,19,20)
InChIKeyWDQMIMNUFQRRGY-UHFFFAOYSA-N
MW322.71 g/mol
LogP2.68
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102655692) has the molecular formula C13H14ClF3N2O2 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102655692
Molecular FormulaC13H14ClF3N2O2
Molecular Weight322.71 g/mol
Exact Mass322.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CNC1
InChIInChI=1S/C13H14ClF3N2O2/c1-12(6-18-7-12)21-5-11(20)19-10-3-2-8(14)4-9(10)13(15,16)17/h2-4,18H,5-7H2,1H3,(H,19,20)
InChIKeyWDQMIMNUFQRRGY-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]amino]benzoate
CID 102655772
4-O-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089233
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
N-(2-chloro-4,6-difluorophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656524
N-(2-chloro-5-cyanophenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656362
N-(2-chloro-5-methylsulfonylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655779
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8850644

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102655692) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CNC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is WDQMIMNUFQRRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2/c1-12(6-18-7-12)21-5-11(20)19-10-3-2-8(14)4-9(10)13(15,16)17/h2-4,18H,5-7H2,1H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 322.71 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102655692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).