N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide

C23H23F3N4O3 — CID 42833653

IUPACN-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(Nc2c(Oc3cccc(C(F)(F)F)c3)cnn(C)c2=O)c1
InChIInChI=1S/C23H23F3N4O3/c1-4-14(2)28-21(31)15-7-5-9-17(11-15)29-20-19(13-27-30(3)22(20)32)33-18-10-6-8-16(12-18)23(24,25)26/h5-14,29H,4H2,1-3H3,(H,28,31)
InChIKeyHBAXTBDCCPLBQT-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.86
Rot. Bonds7

About N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide

N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide (PubChem CID 42833653) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
PubChem CID42833653
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(Nc2c(Oc3cccc(C(F)(F)F)c3)cnn(C)c2=O)c1
InChIInChI=1S/C23H23F3N4O3/c1-4-14(2)28-21(31)15-7-5-9-17(11-15)29-20-19(13-27-30(3)22(20)32)33-18-10-6-8-16(12-18)23(24,25)26/h5-14,29H,4H2,1-3H3,(H,28,31)
InChIKeyHBAXTBDCCPLBQT-UHFFFAOYSA-N
XLogP4.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-methyl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833655
N-butan-2-yl-3-[[5-(2-methoxy-4-methylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]benzamide
CID 46001003
N-ethyl-N-methyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833663
N-cyclopropyl-4-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide
CID 42833659
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 42830831
3-[[5-(4-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 83283817
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369
4-[[5-(3-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(3-methylbutyl)benzamide
CID 46001056
3-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(2-methoxyethyl)benzamide
CID 46002805
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844325
3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide (CID 42833653) is N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide is CCC(C)NC(=O)c1cccc(Nc2c(Oc3cccc(C(F)(F)F)c3)cnn(C)c2=O)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide?
The InChIKey is HBAXTBDCCPLBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-4-14(2)28-21(31)15-7-5-9-17(11-15)29-20-19(13-27-30(3)22(20)32)33-18-10-6-8-16(12-18)23(24,25)26/h5-14,29H,4H2,1-3H3,(H,28,31).
What are the key properties of N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide?
N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide has a molecular weight of 460.46 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-methyl-3-oxo-5-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]amino]benzamide is sourced from PubChem (CID 42833653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).