N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide

C18H12Br2FN3O2 — CID 46923283

IUPACN-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H12Br2FN3O2/c19-12-3-1-11(2-4-12)15-7-8-18(26)24(23-15)10-17(25)22-16-6-5-13(20)9-14(16)21/h1-9H,10H2,(H,22,25)
InChIKeyKOKDOGFABBRYML-UHFFFAOYSA-N
MW481.12 g/mol
LogP4.21
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 46923283) has the molecular formula C18H12Br2FN3O2 and a molecular weight of 481.12 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID46923283
Molecular FormulaC18H12Br2FN3O2
Molecular Weight481.12 g/mol
Exact Mass478.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H12Br2FN3O2/c19-12-3-1-11(2-4-12)15-7-8-18(26)24(23-15)10-17(25)22-16-6-5-13(20)9-14(16)21/h1-9H,10H2,(H,22,25)
InChIKeyKOKDOGFABBRYML-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.12
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46923313
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
N-(4-bromo-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923359
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050297
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517315
N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 25249906
N-(4-bromo-3-methylphenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051100
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 16884849
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide (CID 46923283) is N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is KOKDOGFABBRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2FN3O2/c19-12-3-1-11(2-4-12)15-7-8-18(26)24(23-15)10-17(25)22-16-6-5-13(20)9-14(16)21/h1-9H,10H2,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 481.12 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 46923283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).