N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide

C18H11ClF3N3O2 — CID 1489990

IUPACN-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF3N3O2/c19-11-6-8-12(9-7-11)23-17(27)16-14(18(20,21)22)10-15(26)25(24-16)13-4-2-1-3-5-13/h1-10H,(H,23,27)
InChIKeyYSQJDEXVVOQYFM-UHFFFAOYSA-N
MW393.75 g/mol
LogP4.16
Rot. Bonds3

About N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide

N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide (PubChem CID 1489990) has the molecular formula C18H11ClF3N3O2 and a molecular weight of 393.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
PubChem CID1489990
Molecular FormulaC18H11ClF3N3O2
Molecular Weight393.75 g/mol
Exact Mass393.05
IUPAC NameN-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
InChIInChI=1S/C18H11ClF3N3O2/c19-11-6-8-12(9-7-11)23-17(27)16-14(18(20,21)22)10-15(26)25(24-16)13-4-2-1-3-5-13/h1-10H,(H,23,27)
InChIKeyYSQJDEXVVOQYFM-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.75
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide (CID 1489990) is N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
The InChIKey is YSQJDEXVVOQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O2/c19-11-6-8-12(9-7-11)23-17(27)16-14(18(20,21)22)10-15(26)25(24-16)13-4-2-1-3-5-13/h1-10H,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide has a molecular weight of 393.75 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-oxo-1-phenyl-4-(trifluoromethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 1489990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).