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

C14H11Cl2N3O3 — CID 2539129

IUPACN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H11Cl2N3O3/c1-8(20)18-10-4-2-9(3-5-10)12(21)7-19-14(22)13(16)11(15)6-17-19/h2-6H,7H2,1H3,(H,18,20)
InChIKeyNQBULBQDCSAPCP-UHFFFAOYSA-N
MW340.17 g/mol
LogP2.39
Rot. Bonds4

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

N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide (PubChem CID 2539129) has the molecular formula C14H11Cl2N3O3 and a molecular weight of 340.17 g/mol. Its IUPAC name is N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
PubChem CID2539129
Molecular FormulaC14H11Cl2N3O3
Molecular Weight340.17 g/mol
Exact Mass339.02
IUPAC NameN-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H11Cl2N3O3/c1-8(20)18-10-4-2-9(3-5-10)12(21)7-19-14(22)13(16)11(15)6-17-19/h2-6H,7H2,1H3,(H,18,20)
InChIKeyNQBULBQDCSAPCP-UHFFFAOYSA-N
XLogP2.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]benzonitrile
CID 166162775
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7544095
N-[[5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]thiophen-2-yl]methyl]acetamide
CID 8520547
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 16531593
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9492249

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide (CID 2539129) is N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide is CC(=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]acetamide?
The InChIKey is NQBULBQDCSAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O3/c1-8(20)18-10-4-2-9(3-5-10)12(21)7-19-14(22)13(16)11(15)6-17-19/h2-6H,7H2,1H3,(H,18,20).
What are the key properties of N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide?
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide has a molecular weight of 340.17 g/mol, XLogP of 2.39, 4 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]acetamide is sourced from PubChem (CID 2539129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).