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

C18H14FN3O2 — CID 7422514

IUPAC4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)13-3-2-4-15(11-13)20-18(23)12-5-7-14(19)8-6-12/h2-11H,1H3,(H,20,23)
InChIKeyFQEMJBVPEYKLPI-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.54
Rot. Bonds4

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

4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7422514) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7422514
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1
InChIInChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)13-3-2-4-15(11-13)20-18(23)12-5-7-14(19)8-6-12/h2-11H,1H3,(H,20,23)
InChIKeyFQEMJBVPEYKLPI-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

3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593494
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
4-fluoro-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532465
4-fluoro-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532185
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,6-difluorobenzamide
CID 7593632
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 30677618
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 7422514) is 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2cccc(NC(=O)c3ccc(F)cc3)c2)nn1.
What is the InChIKey of 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is FQEMJBVPEYKLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-24-17-10-9-16(21-22-17)13-3-2-4-15(11-13)20-18(23)12-5-7-14(19)8-6-12/h2-11H,1H3,(H,20,23).
What are the key properties of 4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
4-fluoro-N-[3-(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-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).