N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide

C14H12Br3N3O2 — CID 43042752

IUPACN-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ncc(Br)c(Br)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br3N3O2/c1-8(9-2-4-10(15)5-3-9)19-12(21)7-20-14(22)13(17)11(16)6-18-20/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyGIVOTTOQADJKAL-UHFFFAOYSA-N
MW493.98 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide

N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide (PubChem CID 43042752) has the molecular formula C14H12Br3N3O2 and a molecular weight of 493.98 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
PubChem CID43042752
Molecular FormulaC14H12Br3N3O2
Molecular Weight493.98 g/mol
Exact Mass490.85
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide
SMILESCC(NC(=O)Cn1ncc(Br)c(Br)c1=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12Br3N3O2/c1-8(9-2-4-10(15)5-3-9)19-12(21)7-20-14(22)13(17)11(16)6-18-20/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyGIVOTTOQADJKAL-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31202356
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7557966
2-[5-bromo-6-oxo-4-[[(1S,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]pyridazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 59574820
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
3-[1-(4-bromophenyl)ethylamino]-3-oxopropanoic acid
CID 62232239
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 31523139
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 59574387
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324085
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide (CID 43042752) is N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide is CC(NC(=O)Cn1ncc(Br)c(Br)c1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide?
The InChIKey is GIVOTTOQADJKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3N3O2/c1-8(9-2-4-10(15)5-3-9)19-12(21)7-20-14(22)13(17)11(16)6-18-20/h2-6,8H,7H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide?
N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide has a molecular weight of 493.98 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-(4,5-dibromo-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 43042752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).