2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide

C19H15F3N4O2 — CID 113048928

IUPAC2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-9-5-2-6-12(15)18(27)24-17-11-10-16(25-26-17)23-14-8-4-3-7-13(14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27)
InChIKeyAGSMOHPUEVXRMW-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.50
Rot. Bonds5

About 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide

2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide (PubChem CID 113048928) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
PubChem CID113048928
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C19H15F3N4O2/c1-28-15-9-5-2-6-12(15)18(27)24-17-11-10-16(25-26-17)23-14-8-4-3-7-13(14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27)
InChIKeyAGSMOHPUEVXRMW-UHFFFAOYSA-N
XLogP4.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide (CID 113048928) is 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
The InChIKey is AGSMOHPUEVXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-28-15-9-5-2-6-12(15)18(27)24-17-11-10-16(25-26-17)23-14-8-4-3-7-13(14)19(20,21)22/h2-11H,1H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide?
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide has a molecular weight of 388.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).