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

C20H18FN3O2 — CID 7664506

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)14-19(25)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)
InChIKeyRTAJEGZTPGRYJT-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.41
Rot. Bonds6

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

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7664506) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID7664506
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)14-19(25)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)
InChIKeyRTAJEGZTPGRYJT-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide 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

2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7658916
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121051555
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121033501
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516282
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 121051486
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 7664506) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NCCc1ccccc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is RTAJEGZTPGRYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)14-19(25)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 351.38 g/mol, XLogP of 2.41, 6 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 7664506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).