N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide

C18H14FN3O2 — CID 134800715

IUPACN-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-13(8-6-12)18(23)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,23)
InChIKeyKXCZLRKKIVQMFD-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.54
Rot. Bonds4

About N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide

N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134800715) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134800715
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-13(8-6-12)18(23)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,23)
InChIKeyKXCZLRKKIVQMFD-UHFFFAOYSA-N
XLogP3.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide (CID 134800715) is N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)Nc3cccc(F)c3)cc2)nn1.
What is the InChIKey of N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is KXCZLRKKIVQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)12-5-7-13(8-6-12)18(23)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,23).
What are the key properties of N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide?
N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 323.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134800715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).