2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

C14H13F2N3O3 — CID 42226651

IUPAC2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCCn1ncccc1=O
InChIInChI=1S/C14H13F2N3O3/c15-10-3-4-12(11(16)8-10)22-9-13(20)17-6-7-19-14(21)2-1-5-18-19/h1-5,8H,6-7,9H2,(H,17,20)
InChIKeyTWRQVYQOUQDUCC-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.72
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 42226651) has the molecular formula C14H13F2N3O3 and a molecular weight of 309.27 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
PubChem CID42226651
Molecular FormulaC14H13F2N3O3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1F)NCCn1ncccc1=O
InChIInChI=1S/C14H13F2N3O3/c15-10-3-4-12(11(16)8-10)22-9-13(20)17-6-7-19-14(21)2-1-5-18-19/h1-5,8H,6-7,9H2,(H,17,20)
InChIKeyTWRQVYQOUQDUCC-UHFFFAOYSA-N
XLogP0.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (CID 42226651) is 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1F)NCCn1ncccc1=O.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The InChIKey is TWRQVYQOUQDUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3/c15-10-3-4-12(11(16)8-10)22-9-13(20)17-6-7-19-14(21)2-1-5-18-19/h1-5,8H,6-7,9H2,(H,17,20).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 309.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42226651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).