4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

C17H12BrN3O2 — CID 49035283

IUPAC4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O2/c18-13-6-4-11(5-7-13)17(23)19-14-3-1-2-12(10-14)15-8-9-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyDBHHBIDTFPNVRK-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.45
Rot. Bonds3

About 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide

4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 49035283) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID49035283
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H12BrN3O2/c18-13-6-4-11(5-7-13)17(23)19-14-3-1-2-12(10-14)15-8-9-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22)
InChIKeyDBHHBIDTFPNVRK-UHFFFAOYSA-N
XLogP3.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
3-fluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035357
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1,3-benzoxazole-5-carboxamide
CID 108811725
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylmethoxybenzamide
CID 49035148
ethyl [4-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenyl] carbonate
CID 108769827
N-[3-[[3-(6-oxo-1H-pyridazin-3-yl)benzoyl]amino]phenyl]pyrimidine-2-carboxamide
CID 167918564
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
3-methyl-4-nitro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035359
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2,5-dichloro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49035341
methyl 2-[3-[[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamoyl]phenoxy]acetate
CID 49033446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide (CID 49035283) is 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is DBHHBIDTFPNVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-13-6-4-11(5-7-13)17(23)19-14-3-1-2-12(10-14)15-8-9-16(22)21-20-15/h1-10H,(H,19,23)(H,21,22).
What are the key properties of 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide?
4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 370.21 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 49035283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).