3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide

C13H10Cl3N3O — CID 103606462

IUPAC3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H10Cl3N3O/c1-7(8-4-2-3-5-10(8)14)17-13(20)9-6-11(15)18-19-12(9)16/h2-7H,1H3,(H,17,20)
InChIKeyNHZBTFLYCRAHFR-UHFFFAOYSA-N
MW330.60 g/mol
LogP3.93
Rot. Bonds3

About 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide

3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide (PubChem CID 103606462) has the molecular formula C13H10Cl3N3O and a molecular weight of 330.60 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
PubChem CID103606462
Molecular FormulaC13H10Cl3N3O
Molecular Weight330.60 g/mol
Exact Mass328.99
IUPAC Name3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1Cl
InChIInChI=1S/C13H10Cl3N3O/c1-7(8-4-2-3-5-10(8)14)17-13(20)9-6-11(15)18-19-12(9)16/h2-7H,1H3,(H,17,20)
InChIKeyNHZBTFLYCRAHFR-UHFFFAOYSA-N
XLogP3.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.60
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
3,6-dichloro-N-(1-thiophen-3-ylethyl)pyridazine-4-carboxamide
CID 114038489
2-amino-5-bromo-N-[1-(2-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 62160777
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107025469
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide (CID 103606462) is 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide is CC(NC(=O)c1cc(Cl)nnc1Cl)c1ccccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide?
The InChIKey is NHZBTFLYCRAHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O/c1-7(8-4-2-3-5-10(8)14)17-13(20)9-6-11(15)18-19-12(9)16/h2-7H,1H3,(H,17,20).
What are the key properties of 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide?
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide has a molecular weight of 330.60 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 103606462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).