N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide

C12H8ClF2N3O — CID 115871247

IUPACN-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(Cl)nn2)c1F
InChIInChI=1S/C12H8ClF2N3O/c1-6-2-3-7(14)10(11(6)15)12(19)16-9-5-4-8(13)17-18-9/h2-5H,1H3,(H,16,18,19)
InChIKeyZIWXIZXWPGEPBY-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.97
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide

N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide (PubChem CID 115871247) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
PubChem CID115871247
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC NameN-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(Cl)nn2)c1F
InChIInChI=1S/C12H8ClF2N3O/c1-6-2-3-7(14)10(11(6)15)12(19)16-9-5-4-8(13)17-18-9/h2-5H,1H3,(H,16,18,19)
InChIKeyZIWXIZXWPGEPBY-UHFFFAOYSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(6-chloropyridazin-3-yl)-5-methylthiophene-2-carboxamide
CID 115608643
5-chloro-N-(6-chloropyridazin-3-yl)-2-iodobenzamide
CID 113235172
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide (CID 115871247) is N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccc(Cl)nn2)c1F.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is ZIWXIZXWPGEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c1-6-2-3-7(14)10(11(6)15)12(19)16-9-5-4-8(13)17-18-9/h2-5H,1H3,(H,16,18,19).
What are the key properties of N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide?
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 283.67 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 115871247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).