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

C22H22FN3O2 — CID 121051530

IUPACN-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C22H22FN3O2/c1-2-3-15-25(19-7-5-4-6-8-19)22(28)16-26-21(27)14-13-20(24-26)17-9-11-18(23)12-10-17/h4-14H,2-3,15-16H2,1H3
InChIKeySWTIKJBBYJFUBX-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds7

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

N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 121051530) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID121051530
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C22H22FN3O2/c1-2-3-15-25(19-7-5-4-6-8-19)22(28)16-26-21(27)14-13-20(24-26)17-9-11-18(23)12-10-17/h4-14H,2-3,15-16H2,1H3
InChIKeySWTIKJBBYJFUBX-UHFFFAOYSA-N
XLogP3.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050637
N-ethyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050602
N-ethyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
CID 121051529
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-benzyl-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121050299
N-ethyl-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-phenylacetamide
CID 29279203
N-ethyl-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050082
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
2-[ethyl-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]acetic acid
CID 119205689
N-[3-[benzyl(butyl)amino]propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 20968334
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 121051530) is N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is CCCCN(C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is SWTIKJBBYJFUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-2-3-15-25(19-7-5-4-6-8-19)22(28)16-26-21(27)14-13-20(24-26)17-9-11-18(23)12-10-17/h4-14H,2-3,15-16H2,1H3.
What are the key properties of N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 379.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 121051530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).