N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide

C20H14ClF3N4O2 — CID 162428145

IUPACN-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1
InChIInChI=1S/C20H14ClF3N4O2/c1-11(29)28(16-7-13(22)6-14(23)8-16)18-9-15(10-25-27-18)26-19(30)5-12-3-2-4-17(24)20(12)21/h2-4,6-10H,5H2,1H3,(H,26,27,30)
InChIKeyJPRKKZGHDDHRTI-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.41
Rot. Bonds5

About N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide

N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide (PubChem CID 162428145) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
PubChem CID162428145
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC NameN-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1
InChIInChI=1S/C20H14ClF3N4O2/c1-11(29)28(16-7-13(22)6-14(23)8-16)18-9-15(10-25-27-18)26-19(30)5-12-3-2-4-17(24)20(12)21/h2-4,6-10H,5H2,1H3,(H,26,27,30)
InChIKeyJPRKKZGHDDHRTI-UHFFFAOYSA-N
XLogP4.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The IUPAC name of N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide (CID 162428145) is N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide is CC(=O)N(c1cc(F)cc(F)c1)c1cc(NC(=O)Cc2cccc(F)c2Cl)cnn1.
What is the InChIKey of N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
The InChIKey is JPRKKZGHDDHRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-11(29)28(16-7-13(22)6-14(23)8-16)18-9-15(10-25-27-18)26-19(30)5-12-3-2-4-17(24)20(12)21/h2-4,6-10H,5H2,1H3,(H,26,27,30).
What are the key properties of N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide?
N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide has a molecular weight of 434.81 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 162428145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).