4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C18H12F3N3O2 — CID 1481283

IUPAC4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)12-5-4-8-14(11-12)24-10-9-15(25)16(23-24)17(26)22-13-6-2-1-3-7-13/h1-11H,(H,22,26)
InChIKeyUKVYKQAYLLUULJ-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.50
Rot. Bonds3

About 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 1481283) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID1481283
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C18H12F3N3O2/c19-18(20,21)12-5-4-8-14(11-12)24-10-9-15(25)16(23-24)17(26)22-13-6-2-1-3-7-13/h1-11H,(H,22,26)
InChIKeyUKVYKQAYLLUULJ-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 1481283) is 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is UKVYKQAYLLUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-18(20,21)12-5-4-8-14(11-12)24-10-9-15(25)16(23-24)17(26)22-13-6-2-1-3-7-13/h1-11H,(H,22,26).
What are the key properties of 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 1481283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).