2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O3 — CID 10938305

IUPAC2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)14-4-6-15(7-5-14)24-19(28)12-29-17-3-1-2-13(11-17)10-16-8-9-18(27)26-25-16/h1-9,11H,10,12H2,(H,24,28)(H,26,27)
InChIKeyIFQZEOGWFDGBCV-UHFFFAOYSA-N
MW403.36 g/mol
LogP3.40
Rot. Bonds6

About 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 10938305) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID10938305
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N3O3/c21-20(22,23)14-4-6-15(7-5-14)24-19(28)12-29-17-3-1-2-13(11-17)10-16-8-9-18(27)26-25-16/h1-9,11H,10,12H2,(H,24,28)(H,26,27)
InChIKeyIFQZEOGWFDGBCV-UHFFFAOYSA-N
XLogP3.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 10938305) is 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(COc1cccc(Cc2ccc(=O)[nH]n2)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IFQZEOGWFDGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c21-20(22,23)14-4-6-15(7-5-14)24-19(28)12-29-17-3-1-2-13(11-17)10-16-8-9-18(27)26-25-16/h1-9,11H,10,12H2,(H,24,28)(H,26,27).
What are the key properties of 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 403.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10938305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).