5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one

C20H18FN3O3 — CID 69154226

IUPAC5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(CCO)c(=O)c1Nc1ccccc1F
InChIInChI=1S/C20H18FN3O3/c1-13(26)17-18(14-7-3-2-4-8-14)23-24(11-12-25)20(27)19(17)22-16-10-6-5-9-15(16)21/h2-10,22,25H,11-12H2,1H3
InChIKeyGFQDETOMMFVVGB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.99
Rot. Bonds6

About 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one

5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one (PubChem CID 69154226) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
PubChem CID69154226
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
SMILESCC(=O)c1c(-c2ccccc2)nn(CCO)c(=O)c1Nc1ccccc1F
InChIInChI=1S/C20H18FN3O3/c1-13(26)17-18(14-7-3-2-4-8-14)23-24(11-12-25)20(27)19(17)22-16-10-6-5-9-15(16)21/h2-10,22,25H,11-12H2,1H3
InChIKeyGFQDETOMMFVVGB-UHFFFAOYSA-N
XLogP2.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one (CID 69154226) is 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one is CC(=O)c1c(-c2ccccc2)nn(CCO)c(=O)c1Nc1ccccc1F.
What is the InChIKey of 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one?
The InChIKey is GFQDETOMMFVVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13(26)17-18(14-7-3-2-4-8-14)23-24(11-12-25)20(27)19(17)22-16-10-6-5-9-15(16)21/h2-10,22,25H,11-12H2,1H3.
What are the key properties of 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one?
5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one has a molecular weight of 367.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2-fluoroanilino)-2-(2-hydroxyethyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 69154226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).