N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

C15H14Cl2N4O3 — CID 31713038

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14Cl2N4O3/c1-2-21(15(24)11-6-7-12(22)20-19-11)8-13(23)18-14-9(16)4-3-5-10(14)17/h3-7H,2,8H2,1H3,(H,18,23)(H,20,22)
InChIKeyLUGIDSVDYBVXIL-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.18
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 31713038) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID31713038
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14Cl2N4O3/c1-2-21(15(24)11-6-7-12(22)20-19-11)8-13(23)18-14-9(16)4-3-5-10(14)17/h3-7H,2,8H2,1H3,(H,18,23)(H,20,22)
InChIKeyLUGIDSVDYBVXIL-UHFFFAOYSA-N
XLogP2.18
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 9409881
5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 34374149
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
2-bromo-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 34169565
2-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016807
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17497686
2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-1H-indole-2-carboxamide
CID 25313237
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
1-tert-butyl-5-cyclopropyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylpyrazole-3-carboxamide
CID 52639892
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 27718933

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide (CID 31713038) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LUGIDSVDYBVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-2-21(15(24)11-6-7-12(22)20-19-11)8-13(23)18-14-9(16)4-3-5-10(14)17/h3-7H,2,8H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 31713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).