2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

C21H16ClN5O2 — CID 122306527

IUPAC2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1
InChIInChI=1S/C21H16ClN5O2/c1-14-23-12-13-27(14)19-10-11-20(26-25-19)29-16-8-6-15(7-9-16)24-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,24,28)
InChIKeyXRYIDCGADDHCIL-UHFFFAOYSA-N
MW405.85 g/mol
LogP4.67
Rot. Bonds5

About 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide

2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (PubChem CID 122306527) has the molecular formula C21H16ClN5O2 and a molecular weight of 405.85 g/mol. Its IUPAC name is 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
PubChem CID122306527
Molecular FormulaC21H16ClN5O2
Molecular Weight405.85 g/mol
Exact Mass405.10
IUPAC Name2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1
InChIInChI=1S/C21H16ClN5O2/c1-14-23-12-13-27(14)19-10-11-20(26-25-19)29-16-8-6-15(7-9-16)24-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,24,28)
InChIKeyXRYIDCGADDHCIL-UHFFFAOYSA-N
XLogP4.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.85
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122306543
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
4-cyano-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306726
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide (CID 122306527) is 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)nn1.
What is the InChIKey of 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
The InChIKey is XRYIDCGADDHCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O2/c1-14-23-12-13-27(14)19-10-11-20(26-25-19)29-16-8-6-15(7-9-16)24-21(28)17-4-2-3-5-18(17)22/h2-13H,1H3,(H,24,28).
What are the key properties of 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide?
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide has a molecular weight of 405.85 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide is sourced from PubChem (CID 122306527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).