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

C17H13BrFN3O2S — CID 121076559

IUPACN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1F)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H13BrFN3O2S/c1-10(17(24)20-13-5-4-11(18)9-12(13)19)22-16(23)7-6-14(21-22)15-3-2-8-25-15/h2-10H,1H3,(H,20,24)
InChIKeyNQICGUSCMDRLQK-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.07
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076559) has the molecular formula C17H13BrFN3O2S and a molecular weight of 422.28 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076559
Molecular FormulaC17H13BrFN3O2S
Molecular Weight422.28 g/mol
Exact Mass420.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Br)cc1F)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H13BrFN3O2S/c1-10(17(24)20-13-5-4-11(18)9-12(13)19)22-16(23)7-6-14(21-22)15-3-2-8-25-15/h2-10H,1H3,(H,20,24)
InChIKeyNQICGUSCMDRLQK-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076559) is N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Br)cc1F)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is NQICGUSCMDRLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O2S/c1-10(17(24)20-13-5-4-11(18)9-12(13)19)22-16(23)7-6-14(21-22)15-3-2-8-25-15/h2-10H,1H3,(H,20,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 422.28 g/mol, XLogP of 4.07, 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)propanamide is sourced from PubChem (CID 121076559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).