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

C19H19F4N3O2 — CID 71620787

IUPACN-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C(F)(F)F)cc3F)C2)cc1
InChIInChI=1S/C19H19F4N3O2/c1-11(25-12(2)27)13-3-5-15(6-4-13)28-16-9-26(10-16)18-17(20)7-14(8-24-18)19(21,22)23/h3-8,11,16H,9-10H2,1-2H3,(H,25,27)/t11-/m0/s1
InChIKeyVTOFOSHGSKJRLS-NSHDSACASA-N
MW397.37 g/mol
LogP3.70
Rot. Bonds5

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

N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 71620787) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID71620787
Molecular FormulaC19H19F4N3O2
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC NameN-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C(F)(F)F)cc3F)C2)cc1
InChIInChI=1S/C19H19F4N3O2/c1-11(25-12(2)27)13-3-5-15(6-4-13)28-16-9-26(10-16)18-17(20)7-14(8-24-18)19(21,22)23/h3-8,11,16H,9-10H2,1-2H3,(H,25,27)/t11-/m0/s1
InChIKeyVTOFOSHGSKJRLS-NSHDSACASA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 71620787) is N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C(F)(F)F)cc3F)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is VTOFOSHGSKJRLS-NSHDSACASA-N. The full InChI is InChI=1S/C19H19F4N3O2/c1-11(25-12(2)27)13-3-5-15(6-4-13)28-16-9-26(10-16)18-17(20)7-14(8-24-18)19(21,22)23/h3-8,11,16H,9-10H2,1-2H3,(H,25,27)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 397.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 71620787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).