N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide

C12H9ClFN3O — CID 115666665

IUPACN-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C12H9ClFN3O/c1-7-4-8(6-9(14)5-7)12(18)15-11-3-2-10(13)16-17-11/h2-6H,1H3,(H,15,17,18)
InChIKeyPETNVRSYJBZCHX-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.83
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide

N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide (PubChem CID 115666665) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
PubChem CID115666665
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC NameN-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C12H9ClFN3O/c1-7-4-8(6-9(14)5-7)12(18)15-11-3-2-10(13)16-17-11/h2-6H,1H3,(H,15,17,18)
InChIKeyPETNVRSYJBZCHX-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
3-fluoro-5-methyl-N-(5-nitro-2-pyridinyl)benzamide
CID 162519913
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide (CID 115666665) is N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(Cl)nn2)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide?
The InChIKey is PETNVRSYJBZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-7-4-8(6-9(14)5-7)12(18)15-11-3-2-10(13)16-17-11/h2-6H,1H3,(H,15,17,18).
What are the key properties of N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide?
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide has a molecular weight of 265.68 g/mol, XLogP of 2.83, 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)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 115666665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).