2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H17F4N3O2 — CID 171705156

IUPAC2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4N3O2/c19-15-2-1-3-17(24-15)27-14-8-9-25(10-14)11-16(26)23-13-6-4-12(5-7-13)18(20,21)22/h1-7,14H,8-11H2,(H,23,26)
InChIKeyHPLUNHFOZZKYPT-UHFFFAOYSA-N
MW383.35 g/mol
LogP3.33
Rot. Bonds5

About 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 171705156) has the molecular formula C18H17F4N3O2 and a molecular weight of 383.35 g/mol. Its IUPAC name is 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID171705156
Molecular FormulaC18H17F4N3O2
Molecular Weight383.35 g/mol
Exact Mass383.13
IUPAC Name2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F4N3O2/c19-15-2-1-3-17(24-15)27-14-8-9-25(10-14)11-16(26)23-13-6-4-12(5-7-13)18(20,21)22/h1-7,14H,8-11H2,(H,23,26)
InChIKeyHPLUNHFOZZKYPT-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
CID 171704756
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 171999925
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 90638470
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
N-(4-fluorophenyl)-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350759
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
CID 172904789
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 171705156) is 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCC(Oc2cccc(F)n2)C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HPLUNHFOZZKYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2/c19-15-2-1-3-17(24-15)27-14-8-9-25(10-14)11-16(26)23-13-6-4-12(5-7-13)18(20,21)22/h1-7,14H,8-11H2,(H,23,26).
What are the key properties of 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 383.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171705156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).