N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C18H11F5N4O — CID 109129753

IUPACN-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H11F5N4O/c19-11-4-5-14(13(20)9-11)25-17(28)15-6-7-16(27-26-15)24-12-3-1-2-10(8-12)18(21,22)23/h1-9H,(H,24,27)(H,25,28)
InChIKeyIXWAMGWMVWHAEA-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.77
Rot. Bonds4

About N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109129753) has the molecular formula C18H11F5N4O and a molecular weight of 394.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109129753
Molecular FormulaC18H11F5N4O
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC NameN-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C18H11F5N4O/c19-11-4-5-14(13(20)9-11)25-17(28)15-6-7-16(27-26-15)24-12-3-1-2-10(8-12)18(21,22)23/h1-9H,(H,24,27)(H,25,28)
InChIKeyIXWAMGWMVWHAEA-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.77
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
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(2-bromophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130088
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109129753) is N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is IXWAMGWMVWHAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O/c19-11-4-5-14(13(20)9-11)25-17(28)15-6-7-16(27-26-15)24-12-3-1-2-10(8-12)18(21,22)23/h1-9H,(H,24,27)(H,25,28).
What are the key properties of N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109129753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).