2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide

C21H18ClFN4O3 — CID 50812905

IUPAC2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O
InChIInChI=1S/C21H18ClFN4O3/c1-12-9-16(23)7-8-17(12)25-20(29)11-27-21(30)19(24-13(2)28)10-18(26-27)14-3-5-15(22)6-4-14/h3-10H,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHPWGCNMWKAPBNF-UHFFFAOYSA-N
MW428.85 g/mol
LogP3.61
Rot. Bonds5

About 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide

2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide (PubChem CID 50812905) has the molecular formula C21H18ClFN4O3 and a molecular weight of 428.85 g/mol. Its IUPAC name is 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
PubChem CID50812905
Molecular FormulaC21H18ClFN4O3
Molecular Weight428.85 g/mol
Exact Mass428.11
IUPAC Name2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O
InChIInChI=1S/C21H18ClFN4O3/c1-12-9-16(23)7-8-17(12)25-20(29)11-27-21(30)19(24-13(2)28)10-18(26-27)14-3-5-15(22)6-4-14/h3-10H,11H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHPWGCNMWKAPBNF-UHFFFAOYSA-N
XLogP3.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 50813032
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 50812887
N-(4-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27039883
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030

Frequently Asked Questions

What is the IUPAC name of 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide (CID 50812905) is 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide is CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn(CC(=O)Nc2ccc(F)cc2C)c1=O.
What is the InChIKey of 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
The InChIKey is HPWGCNMWKAPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O3/c1-12-9-16(23)7-8-17(12)25-20(29)11-27-21(30)19(24-13(2)28)10-18(26-27)14-3-5-15(22)6-4-14/h3-10H,11H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide?
2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide has a molecular weight of 428.85 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetamido-3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 50812905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).