N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide

C19H14F3N3O2 — CID 8670453

IUPACN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nn1
InChIInChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-4-6-13(11-12)23-18(26)14-7-2-3-8-15(14)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyZRWQEUTZXAVNCN-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.42
Rot. Bonds4

About N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide

N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 8670453) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID8670453
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nn1
InChIInChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-4-6-13(11-12)23-18(26)14-7-2-3-8-15(14)19(20,21)22/h2-11H,1H3,(H,23,26)
InChIKeyZRWQEUTZXAVNCN-UHFFFAOYSA-N
XLogP4.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(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

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 8670453) is N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide is COc1ccc(-c2cccc(NC(=O)c3ccccc3C(F)(F)F)c2)nn1.
What is the InChIKey of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZRWQEUTZXAVNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-27-17-10-9-16(24-25-17)12-5-4-6-13(11-12)23-18(26)14-7-2-3-8-15(14)19(20,21)22/h2-11H,1H3,(H,23,26).
What are the key properties of N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 373.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 8670453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).