2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide

C20H17BrN4O3 — CID 50812937

IUPAC2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C20H17BrN4O3/c1-13(26)22-18-11-17(14-7-3-2-4-8-14)24-25(20(18)28)12-19(27)23-16-10-6-5-9-15(16)21/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyWUOILXMTHALNKG-UHFFFAOYSA-N
MW441.29 g/mol
LogP3.27
Rot. Bonds5

About 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide

2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide (PubChem CID 50812937) has the molecular formula C20H17BrN4O3 and a molecular weight of 441.29 g/mol. Its IUPAC name is 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
PubChem CID50812937
Molecular FormulaC20H17BrN4O3
Molecular Weight441.29 g/mol
Exact Mass440.05
IUPAC Name2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Br)c1=O
InChIInChI=1S/C20H17BrN4O3/c1-13(26)22-18-11-17(14-7-3-2-4-8-14)24-25(20(18)28)12-19(27)23-16-10-6-5-9-15(16)21/h2-11H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyWUOILXMTHALNKG-UHFFFAOYSA-N
XLogP3.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.29
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 50813032
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
N-[2-[2-(2-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]benzamide
CID 50812970
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792
N-(2-bromophenyl)-2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224565
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50812995
N-[2-[2-(4-acetylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813236
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 50812977
2-methyl-N-[2-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813225
N-[2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50813110

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide?
The IUPAC name of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide (CID 50812937) is 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide is CC(=O)Nc1cc(-c2ccccc2)nn(CC(=O)Nc2ccccc2Br)c1=O.
What is the InChIKey of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide?
The InChIKey is WUOILXMTHALNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O3/c1-13(26)22-18-11-17(14-7-3-2-4-8-14)24-25(20(18)28)12-19(27)23-16-10-6-5-9-15(16)21/h2-11H,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide?
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide has a molecular weight of 441.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide is sourced from PubChem (CID 50812937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).