ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

C20H17ClN4O3 — CID 109128721

IUPACethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C20H17ClN4O3/c1-2-28-20(27)15-8-3-4-9-16(15)23-18-11-10-17(24-25-18)19(26)22-14-7-5-6-13(21)12-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyUHVYFZCUVGIJEP-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.30
Rot. Bonds6

About ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate

ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (PubChem CID 109128721) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
PubChem CID109128721
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC Nameethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C20H17ClN4O3/c1-2-28-20(27)15-8-3-4-9-16(15)23-18-11-10-17(24-25-18)19(26)22-14-7-5-6-13(21)12-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyUHVYFZCUVGIJEP-UHFFFAOYSA-N
XLogP4.30
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128709
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 2-[[6-[(4-fluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128564
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
ethyl 4-[[6-(2-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128602
ethyl 2-[[6-(cyclopropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109110175
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
ethyl 2-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129372
ethyl 2-[[2-(3-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316861
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate (CID 109128721) is ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)Nc2cccc(Cl)c2)nn1.
What is the InChIKey of ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
The InChIKey is UHVYFZCUVGIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-2-28-20(27)15-8-3-4-9-16(15)23-18-11-10-17(24-25-18)19(26)22-14-7-5-6-13(21)12-14/h3-12H,2H2,1H3,(H,22,26)(H,23,25).
What are the key properties of ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate?
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate has a molecular weight of 396.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109128721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).