N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

C16H12F5N3O2 — CID 122251579

IUPACN-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C16H12F5N3O2/c17-11-2-1-3-12(18)14(11)23-15(25)24-7-10(8-24)26-13-6-9(4-5-22-13)16(19,20)21/h1-6,10H,7-8H2,(H,23,25)
InChIKeyUFOXKQPEYYGIGC-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.67
Rot. Bonds3

About N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide

N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (PubChem CID 122251579) has the molecular formula C16H12F5N3O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
PubChem CID122251579
Molecular FormulaC16H12F5N3O2
Molecular Weight373.28 g/mol
Exact Mass373.08
IUPAC NameN-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CC(Oc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C16H12F5N3O2/c17-11-2-1-3-12(18)14(11)23-15(25)24-7-10(8-24)26-13-6-9(4-5-22-13)16(19,20)21/h1-6,10H,7-8H2,(H,23,25)
InChIKeyUFOXKQPEYYGIGC-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251519
(2-iodophenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251330
(3R)-N-tert-butyl-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 100738596
(3,5-dimethylphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251303
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]benzonitrile
CID 122251461
[4-(trifluoromethoxy)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251486
ethyl 2-oxo-2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]acetate
CID 122251292
pyrimidin-2-yl-[(3S)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738519
(1-methyltriazol-4-yl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251475
[2-(trifluoromethoxy)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251550
[4-(dimethylamino)phenyl]-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251458
2-chloro-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 117054478

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide (CID 122251579) is N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CC(Oc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
The InChIKey is UFOXKQPEYYGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O2/c17-11-2-1-3-12(18)14(11)23-15(25)24-7-10(8-24)26-13-6-9(4-5-22-13)16(19,20)21/h1-6,10H,7-8H2,(H,23,25).
What are the key properties of N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide?
N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).