N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide

C13H12ClN3O — CID 115608616

IUPACN-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)nn2)c(C)c1
InChIInChI=1S/C13H12ClN3O/c1-8-3-4-10(9(2)7-8)13(18)15-12-6-5-11(14)16-17-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyYBRKPGIXPLUUHJ-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.00
Rot. Bonds2

About N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide

N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide (PubChem CID 115608616) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
PubChem CID115608616
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)nn2)c(C)c1
InChIInChI=1S/C13H12ClN3O/c1-8-3-4-10(9(2)7-8)13(18)15-12-6-5-11(14)16-17-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyYBRKPGIXPLUUHJ-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
N-(6-chloropyridazin-3-yl)-3-fluoro-5-methylbenzamide
CID 115666665
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide (CID 115608616) is N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)nn2)c(C)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide?
The InChIKey is YBRKPGIXPLUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-8-3-4-10(9(2)7-8)13(18)15-12-6-5-11(14)16-17-12/h3-7H,1-2H3,(H,15,17,18).
What are the key properties of N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide?
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide has a molecular weight of 261.71 g/mol, XLogP of 3.00, 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)-2,4-dimethylbenzamide is sourced from PubChem (CID 115608616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).