2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide

C15H13Cl2F2N3O3 — CID 8933601

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCCc1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2N3O3/c16-10-7-21-22(14(24)13(10)17)8-12(23)20-6-5-9-3-1-2-4-11(9)25-15(18)19/h1-4,7,15H,5-6,8H2,(H,20,23)
InChIKeyYKRQHWZOLLIOMV-UHFFFAOYSA-N
MW392.19 g/mol
LogP2.51
Rot. Bonds7

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 8933601) has the molecular formula C15H13Cl2F2N3O3 and a molecular weight of 392.19 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
PubChem CID8933601
Molecular FormulaC15H13Cl2F2N3O3
Molecular Weight392.19 g/mol
Exact Mass391.03
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCCc1ccccc1OC(F)F
InChIInChI=1S/C15H13Cl2F2N3O3/c16-10-7-21-22(14(24)13(10)17)8-12(23)20-6-5-9-3-1-2-4-11(9)25-15(18)19/h1-4,7,15H,5-6,8H2,(H,20,23)
InChIKeyYKRQHWZOLLIOMV-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide (CID 8933601) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCc1ccccc1OC(F)F.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is YKRQHWZOLLIOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N3O3/c16-10-7-21-22(14(24)13(10)17)8-12(23)20-6-5-9-3-1-2-4-11(9)25-15(18)19/h1-4,7,15H,5-6,8H2,(H,20,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 392.19 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-[2-(difluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 8933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).