4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide

C13H12FN3O2 — CID 68604559

IUPAC4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
SMILESCc1cnn(-c2cc(C(N)=O)c(C)cc2F)c(=O)c1
InChIInChI=1S/C13H12FN3O2/c1-7-3-12(18)17(16-6-7)11-5-9(13(15)19)8(2)4-10(11)14/h3-6H,1-2H3,(H2,15,19)
InChIKeyJIOHOOASQHIFTD-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.09
Rot. Bonds2

About 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide

4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide (PubChem CID 68604559) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
PubChem CID68604559
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
SMILESCc1cnn(-c2cc(C(N)=O)c(C)cc2F)c(=O)c1
InChIInChI=1S/C13H12FN3O2/c1-7-3-12(18)17(16-6-7)11-5-9(13(15)19)8(2)4-10(11)14/h3-6H,1-2H3,(H2,15,19)
InChIKeyJIOHOOASQHIFTD-UHFFFAOYSA-N
XLogP1.09
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide (CID 68604559) is 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide is Cc1cnn(-c2cc(C(N)=O)c(C)cc2F)c(=O)c1.
What is the InChIKey of 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide?
The InChIKey is JIOHOOASQHIFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-7-3-12(18)17(16-6-7)11-5-9(13(15)19)8(2)4-10(11)14/h3-6H,1-2H3,(H2,15,19).
What are the key properties of 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide?
4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide has a molecular weight of 261.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide is sourced from PubChem (CID 68604559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).