4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide

C18H14BrN3O2 — CID 41247394

IUPAC4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCn1nc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1=O
InChIInChI=1S/C18H14BrN3O2/c1-22-17(23)11-10-16(21-22)12-4-8-15(9-5-12)20-18(24)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,24)
InChIKeyZMYNUADPXHISOY-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.46
Rot. Bonds3

About 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide

4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide (PubChem CID 41247394) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
PubChem CID41247394
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
SMILESCn1nc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1=O
InChIInChI=1S/C18H14BrN3O2/c1-22-17(23)11-10-16(21-22)12-4-8-15(9-5-12)20-18(24)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,24)
InChIKeyZMYNUADPXHISOY-UHFFFAOYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247489
N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]cyclopentanecarboxamide
CID 18588488
2-chloro-6-fluoro-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 41247404
N-(4-bromophenyl)-4-[3-(4-chlorophenyl)pyrazol-1-yl]benzamide
CID 172876438
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
ethyl 4-[[2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376414
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
1-methyl-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 121036797
N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide (CID 41247394) is 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide is Cn1nc(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1=O.
What is the InChIKey of 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
The InChIKey is ZMYNUADPXHISOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c1-22-17(23)11-10-16(21-22)12-4-8-15(9-5-12)20-18(24)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,24).
What are the key properties of 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide?
4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide has a molecular weight of 384.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41247394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).