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

C13H11F2N3O2 — CID 70517784

IUPAC2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19)
InChIKeyXPRLOUXULDMCMQ-UHFFFAOYSA-N
MW279.25 g/mol
LogP1.95
Rot. Bonds3

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

2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 70517784) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID70517784
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC Name2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1
InChIInChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19)
InChIKeyXPRLOUXULDMCMQ-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide (CID 70517784) is 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)C(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is XPRLOUXULDMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-7-6-10(19)17-18-11(7)8-2-4-9(5-3-8)16-13(20)12(14)15/h2-6,12H,1H3,(H,16,20)(H,17,19).
What are the key properties of 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide?
2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 279.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-(4-methyl-6-oxo-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 70517784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).