N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide

C19H19ClF3N3O2 — CID 123363402

IUPACN-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c1-11(24-12(2)27)13-3-5-14(6-4-13)28-15-9-26(10-15)17-8-7-16(20)18(25-17)19(21,22)23/h3-8,11,15H,9-10H2,1-2H3,(H,24,27)
InChIKeyDJRHHMOIIVGRCA-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.22
Rot. Bonds5

About N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123363402) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123363402
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC NameN-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)NC(C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C19H19ClF3N3O2/c1-11(24-12(2)27)13-3-5-14(6-4-13)28-15-9-26(10-15)17-8-7-16(20)18(25-17)19(21,22)23/h3-8,11,15H,9-10H2,1-2H3,(H,24,27)
InChIKeyDJRHHMOIIVGRCA-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123363402) is N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)NC(C)c1ccc(OC2CN(c3ccc(Cl)c(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is DJRHHMOIIVGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-11(24-12(2)27)13-3-5-14(6-4-13)28-15-9-26(10-15)17-8-7-16(20)18(25-17)19(21,22)23/h3-8,11,15H,9-10H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 413.83 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123363402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).