6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C18H12F4N4O — CID 109129760

IUPAC6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H12F4N4O/c19-12-4-2-6-14(10-12)23-16-8-7-15(25-26-16)17(27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
InChIKeyXSUQHMUPQPIDAI-UHFFFAOYSA-N
MW376.31 g/mol
LogP4.63
Rot. Bonds4

About 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109129760) has the molecular formula C18H12F4N4O and a molecular weight of 376.31 g/mol. Its IUPAC name is 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109129760
Molecular FormulaC18H12F4N4O
Molecular Weight376.31 g/mol
Exact Mass376.09
IUPAC Name6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)nn1
InChIInChI=1S/C18H12F4N4O/c19-12-4-2-6-14(10-12)23-16-8-7-15(25-26-16)17(27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10H,(H,23,26)(H,24,27)
InChIKeyXSUQHMUPQPIDAI-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

N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
5-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200292
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109129760) is 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Nc2cccc(F)c2)nn1.
What is the InChIKey of 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is XSUQHMUPQPIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N4O/c19-12-4-2-6-14(10-12)23-16-8-7-15(25-26-16)17(27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10H,(H,23,26)(H,24,27).
What are the key properties of 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]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 6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109129760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).