N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide

C12H6ClF4N3O — CID 156904630

IUPACN-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-3-6(12(15,16)17)1-2-9(8)14/h1-5H,(H,19,20,21)
InChIKeyIZBLMTJJNBTXFA-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.54
Rot. Bonds2

About N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 156904630) has the molecular formula C12H6ClF4N3O and a molecular weight of 319.65 g/mol. Its IUPAC name is N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID156904630
Molecular FormulaC12H6ClF4N3O
Molecular Weight319.65 g/mol
Exact Mass319.01
IUPAC NameN-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-3-6(12(15,16)17)1-2-9(8)14/h1-5H,(H,19,20,21)
InChIKeyIZBLMTJJNBTXFA-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.65
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 156904630) is N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cnnc(Cl)c1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is IZBLMTJJNBTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-3-6(12(15,16)17)1-2-9(8)14/h1-5H,(H,19,20,21).
What are the key properties of N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 319.65 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-4-yl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 156904630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).