2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

C15H16BrN3O2 — CID 121058930

IUPAC2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O2/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-12-3-5-13(16)6-4-12/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeyKKCHEURVWBDHQL-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.67
Rot. Bonds5

About 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 121058930) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
PubChem CID121058930
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCc1ccc(=O)n(CCNC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O2/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-12-3-5-13(16)6-4-12/h2-7H,8-10H2,1H3,(H,17,20)
InChIKeyKKCHEURVWBDHQL-UHFFFAOYSA-N
XLogP1.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058886
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
2-iodo-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058925
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
3,4-difluoro-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]benzamide
CID 121058993
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-3,5-dinitrobenzamide
CID 121059074
6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121059111
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (CID 121058930) is 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is Cc1ccc(=O)n(CCNC(=O)Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The InChIKey is KKCHEURVWBDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-11-2-7-15(21)19(18-11)9-8-17-14(20)10-12-3-5-13(16)6-4-12/h2-7H,8-10H2,1H3,(H,17,20).
What are the key properties of 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 350.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121058930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).