2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

C22H17FN4O2 — CID 122307695

IUPAC2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-17-5-3-16(4-6-17)15-21(28)24-18-7-9-19(10-8-18)29-22-12-11-20(25-26-22)27-13-1-2-14-27/h1-14H,15H2,(H,24,28)
InChIKeyVPEMXFPQZMOYBB-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.38
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide

2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (PubChem CID 122307695) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
PubChem CID122307695
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1
InChIInChI=1S/C22H17FN4O2/c23-17-5-3-16(4-6-17)15-21(28)24-18-7-9-19(10-8-18)29-22-12-11-20(25-26-22)27-13-1-2-14-27/h1-14H,15H2,(H,24,28)
InChIKeyVPEMXFPQZMOYBB-UHFFFAOYSA-N
XLogP4.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912
2-phenylmethoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122307897
2,6-difluoro-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307665
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]cyclopropanecarboxamide
CID 122307702
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]furan-2-carboxamide
CID 122307682
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
2-(2,4-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309445

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide (CID 122307695) is 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(Oc2ccc(-n3cccc3)nn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
The InChIKey is VPEMXFPQZMOYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-17-5-3-16(4-6-17)15-21(28)24-18-7-9-19(10-8-18)29-22-12-11-20(25-26-22)27-13-1-2-14-27/h1-14H,15H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide?
2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide has a molecular weight of 388.40 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122307695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).