2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide

C19H16ClFN4O2 — CID 113048572

IUPAC2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-6-7-15(27-2)14(10-11)22-16-8-9-17(25-24-16)23-19(26)18-12(20)4-3-5-13(18)21/h3-10H,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyPYIXOEPSFSFCLK-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.58
Rot. Bonds5

About 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide

2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide (PubChem CID 113048572) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
PubChem CID113048572
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)c2c(F)cccc2Cl)nn1
InChIInChI=1S/C19H16ClFN4O2/c1-11-6-7-15(27-2)14(10-11)22-16-8-9-17(25-24-16)23-19(26)18-12(20)4-3-5-13(18)21/h3-10H,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyPYIXOEPSFSFCLK-UHFFFAOYSA-N
XLogP4.58
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049239
N-[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113047725
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
2-chloro-N-(2,5-difluoro-4-methoxyphenyl)-6-fluorobenzamide
CID 122143687
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113048579
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide (CID 113048572) is 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide is COc1ccc(C)cc1Nc1ccc(NC(=O)c2c(F)cccc2Cl)nn1.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide?
The InChIKey is PYIXOEPSFSFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c1-11-6-7-15(27-2)14(10-11)22-16-8-9-17(25-24-16)23-19(26)18-12(20)4-3-5-13(18)21/h3-10H,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide?
2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide has a molecular weight of 386.81 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).