ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate

C20H17FN4O3 — CID 113051053

IUPACethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)22-17-11-12-18(25-24-17)23-19(26)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyUWGYUZUDROJXEC-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate (PubChem CID 113051053) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
PubChem CID113051053
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Nameethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)22-17-11-12-18(25-24-17)23-19(26)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H,22,24)(H,23,25,26)
InChIKeyUWGYUZUDROJXEC-UHFFFAOYSA-N
XLogP3.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
ethyl 2-[[5-[(2,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164884
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
methyl 2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049347
ethyl 2-[[6-(dimethylsulfamoylamino)pyridazin-3-yl]amino]benzoate
CID 113051086
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate (CID 113051053) is ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
The InChIKey is UWGYUZUDROJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-2-28-20(27)15-5-3-4-6-16(15)22-17-11-12-18(25-24-17)23-19(26)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H,22,24)(H,23,25,26).
What are the key properties of ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate has a molecular weight of 380.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 113051053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).