N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

C23H24BrN3O3 — CID 71698529

IUPACN-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(C(C)C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C23H24BrN3O3/c1-15(2)21-13-17(11-16-5-4-6-20(12-16)30-3)23(29)27(26-21)14-22(28)25-19-9-7-18(24)8-10-19/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,28)
InChIKeyIJHCATOAXCRMJB-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.37
Rot. Bonds7

About N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide

N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 71698529) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID71698529
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC NameN-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCOc1cccc(Cc2cc(C(C)C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1
InChIInChI=1S/C23H24BrN3O3/c1-15(2)21-13-17(11-16-5-4-6-20(12-16)30-3)23(29)27(26-21)14-22(28)25-19-9-7-18(24)8-10-19/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,28)
InChIKeyIJHCATOAXCRMJB-UHFFFAOYSA-N
XLogP4.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide (CID 71698529) is N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is COc1cccc(Cc2cc(C(C)C)nn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is IJHCATOAXCRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-15(2)21-13-17(11-16-5-4-6-20(12-16)30-3)23(29)27(26-21)14-22(28)25-19-9-7-18(24)8-10-19/h4-10,12-13,15H,11,14H2,1-3H3,(H,25,28).
What are the key properties of N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 470.37 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 71698529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).