N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide

C21H19Cl2N3O2 — CID 7419674

IUPACN-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19Cl2N3O2/c22-18-13-24-26(21(28)20(18)23)15-19(27)25(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2
InChIKeyLCVVNMSYXDHMGM-UHFFFAOYSA-N
MW416.31 g/mol
LogP3.82
Rot. Bonds7

About N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide

N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 7419674) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID7419674
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC NameN-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19Cl2N3O2/c22-18-13-24-26(21(28)20(18)23)15-19(27)25(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2
InChIKeyLCVVNMSYXDHMGM-UHFFFAOYSA-N
XLogP3.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide (CID 7419674) is N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LCVVNMSYXDHMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c22-18-13-24-26(21(28)20(18)23)15-19(27)25(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13H,11-12,14-15H2.
What are the key properties of N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide?
N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 416.31 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7419674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).