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

C16H12BrN3O3 — CID 7659444

IUPACN-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21)
InChIKeyXKMYIJQYWDMUCN-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.90
Rot. Bonds4

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

N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7659444) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7659444
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC NameN-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrN3O3/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21)
InChIKeyXKMYIJQYWDMUCN-UHFFFAOYSA-N
XLogP2.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 7659444) is N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is XKMYIJQYWDMUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-11-3-5-12(6-4-11)18-15(21)10-20-16(22)8-7-13(19-20)14-2-1-9-23-14/h1-9H,10H2,(H,18,21).
What are the key properties of N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 374.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).