N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C19H15BrFN3O2 — CID 55829227

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C19H15BrFN3O2/c20-15-6-7-16(21)14(10-15)11-22-18(25)12-24-19(26)9-8-17(23-24)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,25)
InChIKeyBOSCTOKJIOIEEO-UHFFFAOYSA-N
MW416.25 g/mol
LogP3.13
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55829227) has the molecular formula C19H15BrFN3O2 and a molecular weight of 416.25 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55829227
Molecular FormulaC19H15BrFN3O2
Molecular Weight416.25 g/mol
Exact Mass415.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C19H15BrFN3O2/c20-15-6-7-16(21)14(10-15)11-22-18(25)12-24-19(26)9-8-17(23-24)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,25)
InChIKeyBOSCTOKJIOIEEO-UHFFFAOYSA-N
XLogP3.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 51054627
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052772
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-(4-bromo-2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 50925836
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-[(2,6-difluorophenyl)methyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 121051414
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55829227) is N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is BOSCTOKJIOIEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O2/c20-15-6-7-16(21)14(10-15)11-22-18(25)12-24-19(26)9-8-17(23-24)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,22,25).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 416.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55829227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).