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

C19H15BrFN3O2 — CID 50925836

IUPACN-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C19H15BrFN3O2/c1-12-2-4-13(5-3-12)16-8-9-19(26)24(23-16)11-18(25)22-17-7-6-14(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyMSNAWRNDGMIOJW-UHFFFAOYSA-N
MW416.25 g/mol
LogP3.76
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 50925836) has the molecular formula C19H15BrFN3O2 and a molecular weight of 416.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID50925836
Molecular FormulaC19H15BrFN3O2
Molecular Weight416.25 g/mol
Exact Mass415.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3F)n2)cc1
InChIInChI=1S/C19H15BrFN3O2/c1-12-2-4-13(5-3-12)16-8-9-19(26)24(23-16)11-18(25)22-17-7-6-14(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25)
InChIKeyMSNAWRNDGMIOJW-UHFFFAOYSA-N
XLogP3.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
N-(4-bromo-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923359
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050297
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46923313
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
CID 9421150
N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 25249906
N-(3-chloro-4-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23609017
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 50925836) is N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Br)cc3F)n2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MSNAWRNDGMIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O2/c1-12-2-4-13(5-3-12)16-8-9-19(26)24(23-16)11-18(25)22-17-7-6-14(20)10-15(17)21/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 416.25 g/mol, XLogP of 3.76, 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-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 50925836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).