N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide

C15H13Cl2N3O3 — CID 2470212

IUPACN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H13Cl2N3O3/c1-2-13(22)19-10-5-3-9(4-6-10)12(21)8-20-15(23)14(17)11(16)7-18-20/h3-7H,2,8H2,1H3,(H,19,22)
InChIKeyYWCFGOMDCLQCBM-UHFFFAOYSA-N
MW354.19 g/mol
LogP2.78
Rot. Bonds5

About N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide

N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide (PubChem CID 2470212) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
PubChem CID2470212
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC NameN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H13Cl2N3O3/c1-2-13(22)19-10-5-3-9(4-6-10)12(21)8-20-15(23)14(17)11(16)7-18-20/h3-7H,2,8H2,1H3,(H,19,22)
InChIKeyYWCFGOMDCLQCBM-UHFFFAOYSA-N
XLogP2.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide (CID 2470212) is N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide?
The InChIKey is YWCFGOMDCLQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-2-13(22)19-10-5-3-9(4-6-10)12(21)8-20-15(23)14(17)11(16)7-18-20/h3-7H,2,8H2,1H3,(H,19,22).
What are the key properties of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide?
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide has a molecular weight of 354.19 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]propanamide is sourced from PubChem (CID 2470212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).