2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C18H14FN3O2 — CID 7664403

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C18H14FN3O2/c19-14-8-6-13(7-9-14)16-10-11-18(24)22(21-16)12-17(23)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,23)
InChIKeyBCXQRCXCLMFHIM-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.69
Rot. Bonds4

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 7664403) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID7664403
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1
InChIInChI=1S/C18H14FN3O2/c19-14-8-6-13(7-9-14)16-10-11-18(24)22(21-16)12-17(23)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,23)
InChIKeyBCXQRCXCLMFHIM-UHFFFAOYSA-N
XLogP2.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 52671372
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 7664403) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is BCXQRCXCLMFHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-8-6-13(7-9-14)16-10-11-18(24)22(21-16)12-17(23)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,23).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 323.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 7664403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).