N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide

C26H22FN3O3 — CID 71698620

IUPACN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H22FN3O3/c1-33-23-9-5-6-18(15-23)14-20-16-24(19-7-3-2-4-8-19)29-30(26(20)32)17-25(31)28-22-12-10-21(27)11-13-22/h2-13,15-16H,14,17H2,1H3,(H,28,31)
InChIKeyZKWLOPBDSPJHCJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.29
Rot. Bonds7

About N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide (PubChem CID 71698620) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide
PubChem CID71698620
Molecular FormulaC26H22FN3O3
Molecular Weight443.48 g/mol
Exact Mass443.16
IUPAC NameN-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H22FN3O3/c1-33-23-9-5-6-18(15-23)14-20-16-24(19-7-3-2-4-8-19)29-30(26(20)32)17-25(31)28-22-12-10-21(27)11-13-22/h2-13,15-16H,14,17H2,1H3,(H,28,31)
InChIKeyZKWLOPBDSPJHCJ-UHFFFAOYSA-N
XLogP4.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide (CID 71698620) is N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide is COc1cccc(Cc2cc(-c3ccccc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide?
The InChIKey is ZKWLOPBDSPJHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c1-33-23-9-5-6-18(15-23)14-20-16-24(19-7-3-2-4-8-19)29-30(26(20)32)17-25(31)28-22-12-10-21(27)11-13-22/h2-13,15-16H,14,17H2,1H3,(H,28,31).
What are the key properties of N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide has a molecular weight of 443.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide is sourced from PubChem (CID 71698620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).