5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one

C20H17F2N3O2 — CID 69154568

IUPAC5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2c(F)cccc2F)c1=O
InChIInChI=1S/C20H17F2N3O2/c1-3-25-20(27)19(23-18-14(21)10-7-11-15(18)22)16(12(2)26)17(24-25)13-8-5-4-6-9-13/h4-11,23H,3H2,1-2H3
InChIKeyKMXAKLYKSWWOBU-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.15
Rot. Bonds5

About 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one

5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one (PubChem CID 69154568) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
PubChem CID69154568
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one
SMILESCCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2c(F)cccc2F)c1=O
InChIInChI=1S/C20H17F2N3O2/c1-3-25-20(27)19(23-18-14(21)10-7-11-15(18)22)16(12(2)26)17(24-25)13-8-5-4-6-9-13/h4-11,23H,3H2,1-2H3
InChIKeyKMXAKLYKSWWOBU-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one (CID 69154568) is 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one is CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2c(F)cccc2F)c1=O.
What is the InChIKey of 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one?
The InChIKey is KMXAKLYKSWWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-3-25-20(27)19(23-18-14(21)10-7-11-15(18)22)16(12(2)26)17(24-25)13-8-5-4-6-9-13/h4-11,23H,3H2,1-2H3.
What are the key properties of 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one?
5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one has a molecular weight of 369.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(2,6-difluoroanilino)-2-ethyl-6-phenylpyridazin-3-one is sourced from PubChem (CID 69154568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).