ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate

C20H18ClN3O4 — CID 2010038

IUPACethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C20H18ClN3O4/c1-2-28-20(27)13-3-7-15(8-4-13)22-19(26)17-11-12-18(25)24(23-17)16-9-5-14(21)6-10-16/h3-11,23H,2,12H2,1H3,(H,22,26)
InChIKeyGZEGLYPTCLQLJG-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.28
Rot. Bonds5

About ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate

ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate (PubChem CID 2010038) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
PubChem CID2010038
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Nameethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)cc1
InChIInChI=1S/C20H18ClN3O4/c1-2-28-20(27)13-3-7-15(8-4-13)22-19(26)17-11-12-18(25)24(23-17)16-9-5-14(21)6-10-16/h3-11,23H,2,12H2,1H3,(H,22,26)
InChIKeyGZEGLYPTCLQLJG-UHFFFAOYSA-N
XLogP3.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-(4-ethylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2019686
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ethyl 4-[[3-benzamido-1-(4-chlorophenyl)-6-oxo-2-sulfanylidene-1,3-diazinane-4-carbonyl]amino]benzoate
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ethyl 4-[[2-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]benzoate
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ethyl 4-[(4-iodobenzoyl)amino]benzoate
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ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
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ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
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ethyl 6-[4-[(4-chlorobenzoyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate (CID 2010038) is ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2=CCC(=O)N(c3ccc(Cl)cc3)N2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
The InChIKey is GZEGLYPTCLQLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-2-28-20(27)13-3-7-15(8-4-13)22-19(26)17-11-12-18(25)24(23-17)16-9-5-14(21)6-10-16/h3-11,23H,2,12H2,1H3,(H,22,26).
What are the key properties of ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate?
ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate has a molecular weight of 399.83 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazine-6-carbonyl]amino]benzoate is sourced from PubChem (CID 2010038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).