2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

C15H16FN3O3 — CID 121058965

IUPAC2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O3/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-22-13-5-3-12(16)4-6-13/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeyYVGICMDQJQNEAF-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.89
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 121058965) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
PubChem CID121058965
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O3/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-22-13-5-3-12(16)4-6-13/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeyYVGICMDQJQNEAF-UHFFFAOYSA-N
XLogP0.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (CID 121058965) is 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is Cc1ccc(=O)n(CCNC(=O)COc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The InChIKey is YVGICMDQJQNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-22-13-5-3-12(16)4-6-13/h2-7H,8-10H2,1H3,(H,17,20).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 305.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121058965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).