N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C16H11BrFN3O2S — CID 121049881

IUPACN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H11BrFN3O2S/c17-10-3-4-12(11(18)8-10)19-15(22)9-21-16(23)6-5-13(20-21)14-2-1-7-24-14/h1-8H,9H2,(H,19,22)
InChIKeyHDJMTVQZXGNZOO-UHFFFAOYSA-N
MW408.25 g/mol
LogP3.51
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 121049881) has the molecular formula C16H11BrFN3O2S and a molecular weight of 408.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID121049881
Molecular FormulaC16H11BrFN3O2S
Molecular Weight408.25 g/mol
Exact Mass406.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H11BrFN3O2S/c17-10-3-4-12(11(18)8-10)19-15(22)9-21-16(23)6-5-13(20-21)14-2-1-7-24-14/h1-8H,9H2,(H,19,22)
InChIKeyHDJMTVQZXGNZOO-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 121049881) is N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is HDJMTVQZXGNZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2S/c17-10-3-4-12(11(18)8-10)19-15(22)9-21-16(23)6-5-13(20-21)14-2-1-7-24-14/h1-8H,9H2,(H,19,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 408.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121049881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).