N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C18H12F4N4O — CID 109128539

IUPACN-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H12F4N4O/c19-12-4-6-13(7-5-12)24-17(27)15-8-9-16(26-25-15)23-14-3-1-2-11(10-14)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
InChIKeyKWJFCGLZBRPCEJ-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.63
Rot. Bonds4

About N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109128539) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109128539
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC NameN-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H12F4N4O/c19-12-4-6-13(7-5-12)24-17(27)15-8-9-16(26-25-15)23-14-3-1-2-11(10-14)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
InChIKeyKWJFCGLZBRPCEJ-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109128539) is N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is KWJFCGLZBRPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-12-4-6-13(7-5-12)24-17(27)15-8-9-16(26-25-15)23-14-3-1-2-11(10-14)18(20,21)22/h1-10H,(H,23,26)(H,24,27).
What are the key properties of N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109128539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).