N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C16H11F2N3O2S — CID 7659576

IUPACN-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-4-3-10(8-12(11)18)19-15(22)9-21-16(23)6-5-13(20-21)14-2-1-7-24-14/h1-8H,9H2,(H,19,22)
InChIKeyUISJTOQKLNIYFZ-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.89
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659576) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659576
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-11-4-3-10(8-12(11)18)19-15(22)9-21-16(23)6-5-13(20-21)14-2-1-7-24-14/h1-8H,9H2,(H,19,22)
InChIKeyUISJTOQKLNIYFZ-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659576) is N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is UISJTOQKLNIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-11-4-3-10(8-12(11)18)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-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 347.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).