N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide

C18H11F5N4O — CID 113051572

IUPACN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F5N4O/c19-12-2-1-3-13(20)16(12)24-14-8-9-15(27-26-14)25-17(28)10-4-6-11(7-5-10)18(21,22)23/h1-9H,(H,24,26)(H,25,27,28)
InChIKeyBSEUVHCBMYYHAQ-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.77
Rot. Bonds4

About N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 113051572) has the molecular formula C18H11F5N4O and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID113051572
Molecular FormulaC18H11F5N4O
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC NameN-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H11F5N4O/c19-12-2-1-3-13(20)16(12)24-14-8-9-15(27-26-14)25-17(28)10-4-6-11(7-5-10)18(21,22)23/h1-9H,(H,24,26)(H,25,27,28)
InChIKeyBSEUVHCBMYYHAQ-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-[6-(2,6-difluoroanilino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113051566
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113040911
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051558
N-[5-(2,6-difluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113037492
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (CID 113051572) is N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(Nc2c(F)cccc2F)nn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is BSEUVHCBMYYHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O/c19-12-2-1-3-13(20)16(12)24-14-8-9-15(27-26-14)25-17(28)10-4-6-11(7-5-10)18(21,22)23/h1-9H,(H,24,26)(H,25,27,28).
What are the key properties of N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide 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-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113051572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).