N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide

C13H12ClN3O3 — CID 115608605

IUPACN-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O3/c1-19-8-3-4-10(20-2)9(7-8)13(18)15-12-6-5-11(14)16-17-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyNWQNGOMPMLCDCP-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.40
Rot. Bonds4

About N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide

N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide (PubChem CID 115608605) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
PubChem CID115608605
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccc(Cl)nn2)c1
InChIInChI=1S/C13H12ClN3O3/c1-19-8-3-4-10(20-2)9(7-8)13(18)15-12-6-5-11(14)16-17-12/h3-7H,1-2H3,(H,15,17,18)
InChIKeyNWQNGOMPMLCDCP-UHFFFAOYSA-N
XLogP2.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(6-chloropyridazin-3-yl)-4-methoxy-3-nitrobenzamide
CID 115608630
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393926
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dimethoxybenzamide
CID 79736443
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
N-(6-chloropyridazin-3-yl)-2,4-dimethylbenzamide
CID 115608616
2-[(6-chloropyridazin-3-yl)amino]-1-(5-methoxy-2-methylphenyl)ethanone
CID 58256255
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
2,5-dimethoxy-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 45284631

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide (CID 115608605) is N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2ccc(Cl)nn2)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide?
The InChIKey is NWQNGOMPMLCDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-19-8-3-4-10(20-2)9(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)-2,5-dimethoxybenzamide?
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide has a molecular weight of 293.71 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 115608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).