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

C26H21F2N3O3 — CID 71698877

IUPACN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(F)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H21F2N3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32)
InChIKeyLITVUNWCYHVEEV-UHFFFAOYSA-N
MW461.47 g/mol
LogP4.43
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 71698877) has the molecular formula C26H21F2N3O3 and a molecular weight of 461.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
PubChem CID71698877
Molecular FormulaC26H21F2N3O3
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC NameN-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(-c3ccc(F)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C26H21F2N3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32)
InChIKeyLITVUNWCYHVEEV-UHFFFAOYSA-N
XLogP4.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 54.43
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-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide (CID 71698877) is N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide is COc1cccc(Cc2cc(-c3ccc(F)cc3)nn(CC(=O)Nc3ccc(F)cc3)c2=O)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is LITVUNWCYHVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O3/c1-34-23-4-2-3-17(14-23)13-19-15-24(18-5-7-20(27)8-6-18)30-31(26(19)33)16-25(32)29-22-11-9-21(28)10-12-22/h2-12,14-15H,13,16H2,1H3,(H,29,32).
What are the key properties of N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 461.47 g/mol, XLogP of 4.43, 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-[3-(4-fluorophenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 71698877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).