N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide

C15H14F3N3O3 — CID 15994592

IUPACN-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(F)c(F)nc(NCCO)c2F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-8(23)20-9-2-4-10(5-3-9)24-13-11(16)14(18)21-15(12(13)17)19-6-7-22/h2-5,22H,6-7H2,1H3,(H,19,21)(H,20,23)
InChIKeyZCVZASPXSFADEH-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.65
Rot. Bonds6

About N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide

N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide (PubChem CID 15994592) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide
PubChem CID15994592
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(F)c(F)nc(NCCO)c2F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-8(23)20-9-2-4-10(5-3-9)24-13-11(16)14(18)21-15(12(13)17)19-6-7-22/h2-5,22H,6-7H2,1H3,(H,19,21)(H,20,23)
InChIKeyZCVZASPXSFADEH-UHFFFAOYSA-N
XLogP2.65
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide?
The IUPAC name of N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide (CID 15994592) is N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2c(F)c(F)nc(NCCO)c2F)cc1.
What is the InChIKey of N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide?
The InChIKey is ZCVZASPXSFADEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-8(23)20-9-2-4-10(5-3-9)24-13-11(16)14(18)21-15(12(13)17)19-6-7-22/h2-5,22H,6-7H2,1H3,(H,19,21)(H,20,23).
What are the key properties of N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide?
N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,3,5-trifluoro-6-(2-hydroxyethylamino)-4-pyridinyl]oxy]phenyl]acetamide is sourced from PubChem (CID 15994592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).