4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

C18H14FN3O2 — CID 7593565

IUPAC4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-11-10-16(21-22-17)12-4-8-15(9-5-12)20-18(23)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,23)
InChIKeyHEUVHAIBECUJKK-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.54
Rot. Bonds4

About 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide

4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7593565) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7593565
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-11-10-16(21-22-17)12-4-8-15(9-5-12)20-18(23)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,23)
InChIKeyHEUVHAIBECUJKK-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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Related Compounds

2-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509888
N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 16022607
3-(3-methoxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 16022631
3-methoxy-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509623
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
2,2,2-trifluoro-N-(3-(6-methoxypyridazin-3-yl)phenyl)acetamide
CID 7593502
2,2,2-trifluoro-N-(4-(6-methoxypyridazin-3-yl)phenyl)acetamide
CID 7593576
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7593608
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-fluorobenzamide
CID 7593628
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
CID 7593643

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 7593565) is 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is HEUVHAIBECUJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-24-17-11-10-16(21-22-17)12-4-8-15(9-5-12)20-18(23)13-2-6-14(19)7-3-13/h2-11H,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide?
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]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 4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).