2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C21H14F2N4O2 — CID 122307665

IUPAC2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N4O2/c22-16-4-3-5-17(23)20(16)21(28)24-14-6-8-15(9-7-14)29-19-11-10-18(25-26-19)27-12-1-2-13-27/h1-13H,(H,24,28)
InChIKeyFEKQJFYPFUZVSF-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.59
Rot. Bonds5

About 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122307665) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122307665
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N4O2/c22-16-4-3-5-17(23)20(16)21(28)24-14-6-8-15(9-7-14)29-19-11-10-18(25-26-19)27-12-1-2-13-27/h1-13H,(H,24,28)
InChIKeyFEKQJFYPFUZVSF-UHFFFAOYSA-N
XLogP4.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307695
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122308001
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]quinoxaline-2-carboxamide
CID 122307854
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-6-fluorobenzamide
CID 122305398
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
4-pentoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307900
2-oxo-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]chromene-3-carboxamide
CID 122307699
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122307665) is 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is O=C(Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is FEKQJFYPFUZVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c22-16-4-3-5-17(23)20(16)21(28)24-14-6-8-15(9-7-14)29-19-11-10-18(25-26-19)27-12-1-2-13-27/h1-13H,(H,24,28).
What are the key properties of 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 392.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122307665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).