N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C13H7Cl3N4O2 — CID 3912719

IUPACN-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C13H7Cl3N4O2/c14-9-3-8(2-1-7(9)4-17)19-11(21)6-20-13(22)12(16)10(15)5-18-20/h1-3,5H,6H2,(H,19,21)
InChIKeyXXUSMMRAMPPMMU-UHFFFAOYSA-N
MW357.58 g/mol
LogP2.71
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 3912719) has the molecular formula C13H7Cl3N4O2 and a molecular weight of 357.58 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID3912719
Molecular FormulaC13H7Cl3N4O2
Molecular Weight357.58 g/mol
Exact Mass355.96
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl
InChIInChI=1S/C13H7Cl3N4O2/c14-9-3-8(2-1-7(9)4-17)19-11(21)6-20-13(22)12(16)10(15)5-18-20/h1-3,5H,6H2,(H,19,21)
InChIKeyXXUSMMRAMPPMMU-UHFFFAOYSA-N
XLogP2.71
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 43445480
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-oxo-1H-quinolin-7-yl)acetamide
CID 162728119
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethylphenyl)acetamide
CID 3647379
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 31512699
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 162727660
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 3912719) is N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is N#Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is XXUSMMRAMPPMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4O2/c14-9-3-8(2-1-7(9)4-17)19-11(21)6-20-13(22)12(16)10(15)5-18-20/h1-3,5H,6H2,(H,19,21).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 357.58 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 3912719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).