N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide

C13H11Cl2N3O2 — CID 121079717

IUPACN-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1ncccc1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-8(18-12(19)3-2-4-16-18)13(20)17-11-6-9(14)5-10(15)7-11/h2-8H,1H3,(H,17,20)
InChIKeyLQMWYAVPTKXKFH-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.75
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide

N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 121079717) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID121079717
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1ncccc1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-8(18-12(19)3-2-4-16-18)13(20)17-11-6-9(14)5-10(15)7-11/h2-8H,1H3,(H,17,20)
InChIKeyLQMWYAVPTKXKFH-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517965
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079728
N-(3,5-dichlorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122280002
N-(2-cyano-4-nitrophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079737
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 121079717) is N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1cc(Cl)cc(Cl)c1)n1ncccc1=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is LQMWYAVPTKXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-8(18-12(19)3-2-4-16-18)13(20)17-11-6-9(14)5-10(15)7-11/h2-8H,1H3,(H,17,20).
What are the key properties of N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 312.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 121079717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).