2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide

C14H17F3N2O2 — CID 171704530

IUPAC2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOC1(C(F)(F)F)CN(CC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-5-11(6-4-10)18-12(20)7-19-8-13(9-19,21-2)14(15,16)17/h3-6H,7-9H2,1-2H3,(H,18,20)
InChIKeyCVIAIZBQFXPLGJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 171704530) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID171704530
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOC1(C(F)(F)F)CN(CC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-5-11(6-4-10)18-12(20)7-19-8-13(9-19,21-2)14(15,16)17/h3-6H,7-9H2,1-2H3,(H,18,20)
InChIKeyCVIAIZBQFXPLGJ-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171337818
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 172904027
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171998342
2-[2-[4-[3-methoxy-3-(trifluoromethyl)cyclobutyl]phenyl]-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-(4-methylphenyl)acetamide
CID 178132256
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide (CID 171704530) is 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide is COC1(C(F)(F)F)CN(CC(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is CVIAIZBQFXPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-3-5-11(6-4-10)18-12(20)7-19-8-13(9-19,21-2)14(15,16)17/h3-6H,7-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 171704530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).