N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide

C13H14F3N3O3 — CID 122250991

IUPACN-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O3/c1-8(20)18-5-11(21)19-6-9(7-19)22-12-10(13(14,15)16)3-2-4-17-12/h2-4,9H,5-7H2,1H3,(H,18,20)
InChIKeySFYULVFJGDCXIH-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.83
Rot. Bonds4

About N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide (PubChem CID 122250991) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
PubChem CID122250991
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC NameN-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CC(Oc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C13H14F3N3O3/c1-8(20)18-5-11(21)19-6-9(7-19)22-12-10(13(14,15)16)3-2-4-17-12/h2-4,9H,5-7H2,1H3,(H,18,20)
InChIKeySFYULVFJGDCXIH-UHFFFAOYSA-N
XLogP0.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250784
2-propyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]pentan-1-one
CID 122250768
3-methyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]but-2-en-1-one
CID 122250982
3-chloro-2,2-dimethyl-1-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]propan-1-one
CID 122250787
(4-propan-2-ylcyclohexyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251019
cyclopentyl-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250770
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
(2-ethylsulfanylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250908
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251081
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250815
N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251065
(3,4-dimethylphenyl)-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122250793

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide (CID 122250991) is N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CC(Oc2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide?
The InChIKey is SFYULVFJGDCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-8(20)18-5-11(21)19-6-9(7-19)22-12-10(13(14,15)16)3-2-4-17-12/h2-4,9H,5-7H2,1H3,(H,18,20).
What are the key properties of N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide has a molecular weight of 317.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 122250991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).