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

C27H24FN3O4 — CID 71698710

IUPACN-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(Cc3cccc(OC)c3)c(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C27H24FN3O4/c1-34-23-12-6-19(7-13-23)25-16-20(14-18-4-3-5-24(15-18)35-2)27(33)31(30-25)17-26(32)29-22-10-8-21(28)9-11-22/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)
InChIKeyQNEIUZOSVVSZRQ-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.30
Rot. Bonds8

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

N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 71698710) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
PubChem CID71698710
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC NameN-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(Cc3cccc(OC)c3)c(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C27H24FN3O4/c1-34-23-12-6-19(7-13-23)25-16-20(14-18-4-3-5-24(15-18)35-2)27(33)31(30-25)17-26(32)29-22-10-8-21(28)9-11-22/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)
InChIKeyQNEIUZOSVVSZRQ-UHFFFAOYSA-N
XLogP4.30
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
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N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-3,4-dimethyl-6-oxopyridazin-1-yl]acetamide
CID 171342877
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide (CID 71698710) is N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2cc(Cc3cccc(OC)c3)c(=O)n(CC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QNEIUZOSVVSZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-34-23-12-6-19(7-13-23)25-16-20(14-18-4-3-5-24(15-18)35-2)27(33)31(30-25)17-26(32)29-22-10-8-21(28)9-11-22/h3-13,15-16H,14,17H2,1-2H3,(H,29,32).
What are the key properties of N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 473.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 71698710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).