N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide

C20H18FN3O2 — CID 7593608

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)nn1
InChIInChI=1S/C20H18FN3O2/c1-2-26-20-11-10-18(23-24-20)15-4-3-5-17(13-15)22-19(25)12-14-6-8-16(21)9-7-14/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyXFZCURWCXUWFCU-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.86
Rot. Bonds6

About N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 7593608) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID7593608
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1ccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)nn1
InChIInChI=1S/C20H18FN3O2/c1-2-26-20-11-10-18(23-24-20)15-4-3-5-17(13-15)22-19(25)12-14-6-8-16(21)9-7-14/h3-11,13H,2,12H2,1H3,(H,22,25)
InChIKeyXFZCURWCXUWFCU-UHFFFAOYSA-N
XLogP3.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide (CID 7593608) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide is CCOc1ccc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XFZCURWCXUWFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-26-20-11-10-18(23-24-20)15-4-3-5-17(13-15)22-19(25)12-14-6-8-16(21)9-7-14/h3-11,13H,2,12H2,1H3,(H,22,25).
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7593608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).