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

C12H6ClF4N3O — CID 154982262

IUPACN-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-2-1-6(3-9(8)14)12(15,16)17/h1-5H,(H,19,20,21)
InChIKeySTTOMRWYDVIZMD-UHFFFAOYSA-N
MW319.65 g/mol
LogP3.54
Rot. Bonds2

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

N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 154982262) 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-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide
PubChem CID154982262
Molecular FormulaC12H6ClF4N3O
Molecular Weight319.65 g/mol
Exact Mass319.01
IUPAC NameN-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnnc(Cl)c1)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-2-1-6(3-9(8)14)12(15,16)17/h1-5H,(H,19,20,21)
InChIKeySTTOMRWYDVIZMD-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

Analyze N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 3719290
CID 3719290
CID 9818463
CID 9818463
CID 51078622
CID 51078622
CID 154862921
CID 154862921
CID 169408176
CID 169408176
CID 172470746
CID 172470746
CID 21105216
CID 21105216
CID 21105219
CID 21105219
CID 56967347
CID 56967347
CID 60270104
CID 60270104
CID 60270238
CID 60270238
CID 132120594
CID 132120594

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide (CID 154982262) is N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide is O=C(Nc1cnnc(Cl)c1)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is STTOMRWYDVIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N3O/c13-10-4-7(5-18-20-10)19-11(21)8-2-1-6(3-9(8)14)12(15,16)17/h1-5H,(H,19,20,21).
What are the key properties of N-(6-chloropyridazin-4-yl)-2-fluoro-4-(trifluoromethyl)benzamide?
N-(6-chloropyridazin-4-yl)-2-fluoro-4-(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-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154982262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).