5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C18H14BrN3O2 — CID 51357233

IUPAC5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C18H14BrN3O2/c19-14-6-7-17(24-12-13-4-2-1-3-5-13)16(10-14)18(23)22-15-8-9-20-21-11-15/h1-11H,12H2,(H,20,22,23)
InChIKeyFKJQZXKKRQMVIG-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.07
Rot. Bonds5

About 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 51357233) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID51357233
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESO=C(Nc1ccnnc1)c1cc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C18H14BrN3O2/c19-14-6-7-17(24-12-13-4-2-1-3-5-13)16(10-14)18(23)22-15-8-9-20-21-11-15/h1-11H,12H2,(H,20,22,23)
InChIKeyFKJQZXKKRQMVIG-UHFFFAOYSA-N
XLogP4.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 51357233) is 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is O=C(Nc1ccnnc1)c1cc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is FKJQZXKKRQMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-6-7-17(24-12-13-4-2-1-3-5-13)16(10-14)18(23)22-15-8-9-20-21-11-15/h1-11H,12H2,(H,20,22,23).
What are the key properties of 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 384.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 51357233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).