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

C14H12Cl2N4O4 — CID 16531593

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H12Cl2N4O4/c1-24-9-4-2-8(3-5-9)18-14(23)19-11(21)7-20-13(22)12(16)10(15)6-17-20/h2-6H,7H2,1H3,(H2,18,19,21,23)
InChIKeyJBCLDMPDKVRBCO-UHFFFAOYSA-N
MW371.18 g/mol
LogP1.91
Rot. Bonds4

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

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide (PubChem CID 16531593) has the molecular formula C14H12Cl2N4O4 and a molecular weight of 371.18 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
PubChem CID16531593
Molecular FormulaC14H12Cl2N4O4
Molecular Weight371.18 g/mol
Exact Mass370.02
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
SMILESCOc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C14H12Cl2N4O4/c1-24-9-4-2-8(3-5-9)18-14(23)19-11(21)7-20-13(22)12(16)10(15)6-17-20/h2-6H,7H2,1H3,(H2,18,19,21,23)
InChIKeyJBCLDMPDKVRBCO-UHFFFAOYSA-N
XLogP1.91
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 2408214
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2701039
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2585015
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-naphthalen-2-ylacetamide
CID 2096926
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2086642
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 9492218
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]-3-methylbutanamide
CID 8862363
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 9492189
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(2-oxo-1H-quinolin-7-yl)acetamide
CID 162728119

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide (CID 16531593) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide is COc1ccc(NC(=O)NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
The InChIKey is JBCLDMPDKVRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O4/c1-24-9-4-2-8(3-5-9)18-14(23)19-11(21)7-20-13(22)12(16)10(15)6-17-20/h2-6H,7H2,1H3,(H2,18,19,21,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide has a molecular weight of 371.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide is sourced from PubChem (CID 16531593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).