N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C17H11ClF3N3O2S — CID 16800190

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2S/c18-11-4-3-10(17(19,20)21)8-13(11)22-15(25)9-24-16(26)6-5-12(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25)
InChIKeyODXHGSUGPOCIDG-UHFFFAOYSA-N
MW413.81 g/mol
LogP4.28
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 16800190) has the molecular formula C17H11ClF3N3O2S and a molecular weight of 413.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID16800190
Molecular FormulaC17H11ClF3N3O2S
Molecular Weight413.81 g/mol
Exact Mass413.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H11ClF3N3O2S/c18-11-4-3-10(17(19,20)21)8-13(11)22-15(25)9-24-16(26)6-5-12(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25)
InChIKeyODXHGSUGPOCIDG-UHFFFAOYSA-N
XLogP4.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 16800190) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is ODXHGSUGPOCIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2S/c18-11-4-3-10(17(19,20)21)8-13(11)22-15(25)9-24-16(26)6-5-12(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 413.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 16800190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).