methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate

C19H15FN4O3 — CID 113049347

IUPACmethyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)nn1
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)13-7-3-5-9-15(13)21-16-10-11-17(24-23-16)22-18(25)12-6-2-4-8-14(12)20/h2-11H,1H3,(H,21,23)(H,22,24,25)
InChIKeyDCMLWYXBGOYIRK-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate

methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate (PubChem CID 113049347) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
PubChem CID113049347
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Namemethyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)nn1
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)13-7-3-5-9-15(13)21-16-10-11-17(24-23-16)22-18(25)12-6-2-4-8-14(12)20/h2-11H,1H3,(H,21,23)(H,22,24,25)
InChIKeyDCMLWYXBGOYIRK-UHFFFAOYSA-N
XLogP3.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352
2-chloro-N-[6-(2-fluoroanilino)pyridazin-3-yl]benzamide
CID 113047175
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
N-[6-(3-acetamidoanilino)pyridazin-3-yl]-2-fluorobenzamide
CID 113049219
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
methyl 2-[[4-(2-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112929325
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate (CID 113049347) is methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate is COC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2F)nn1.
What is the InChIKey of methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The InChIKey is DCMLWYXBGOYIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-27-19(26)13-7-3-5-9-15(13)21-16-10-11-17(24-23-16)22-18(25)12-6-2-4-8-14(12)20/h2-11H,1H3,(H,21,23)(H,22,24,25).
What are the key properties of methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate has a molecular weight of 366.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113049347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).