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

C18H13F2N3O2 — CID 7593494

IUPAC3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nn1
InChIInChI=1S/C18H13F2N3O2/c1-25-17-8-7-16(22-23-17)11-3-2-4-13(9-11)21-18(24)12-5-6-14(19)15(20)10-12/h2-10H,1H3,(H,21,24)
InChIKeyAXZVBOSOOYYNTR-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.68
Rot. Bonds4

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

3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7593494) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7593494
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nn1
InChIInChI=1S/C18H13F2N3O2/c1-25-17-8-7-16(22-23-17)11-3-2-4-13(9-11)21-18(24)12-5-6-14(19)15(20)10-12/h2-10H,1H3,(H,21,24)
InChIKeyAXZVBOSOOYYNTR-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7422514
N-[3-(6-methoxypyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 7422510
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
3,4-difluoro-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49034784
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methoxyphenyl)benzamide
CID 46387049
3-chloro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593570
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
3,4-difluoro-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 122283315
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 7593527
N-[3-(4,6-dimethoxypyrimidin-2-yl)phenyl]-4-phenylbenzamide
CID 5018775

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 7593494) is 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)nn1.
What is the InChIKey of 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is AXZVBOSOOYYNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-25-17-8-7-16(22-23-17)11-3-2-4-13(9-11)21-18(24)12-5-6-14(19)15(20)10-12/h2-10H,1H3,(H,21,24).
What are the key properties of 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 341.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).