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

C16H18FN3O3 — CID 121058970

IUPAC2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCc1ccc(=O)n(CCNC(=O)C(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O3/c1-11-3-8-15(21)20(19-11)10-9-18-16(22)12(2)23-14-6-4-13(17)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,18,22)
InChIKeyCSVOQSPTKUOWTD-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.27
Rot. Bonds6

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

2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide (PubChem CID 121058970) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
PubChem CID121058970
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide
SMILESCc1ccc(=O)n(CCNC(=O)C(C)Oc2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O3/c1-11-3-8-15(21)20(19-11)10-9-18-16(22)12(2)23-14-6-4-13(17)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,18,22)
InChIKeyCSVOQSPTKUOWTD-UHFFFAOYSA-N
XLogP1.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.27
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]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide (CID 121058970) is 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide is Cc1ccc(=O)n(CCNC(=O)C(C)Oc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
The InChIKey is CSVOQSPTKUOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11-3-8-15(21)20(19-11)10-9-18-16(22)12(2)23-14-6-4-13(17)5-7-14/h3-8,12H,9-10H2,1-2H3,(H,18,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide?
2-(4-fluorophenoxy)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]propanamide has a molecular weight of 319.34 g/mol, XLogP of 1.27, 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]propanamide is sourced from PubChem (CID 121058970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).