N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

C24H17F2N3O3 — CID 53005588

IUPACN-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C24H17F2N3O3/c25-18-4-1-3-16(13-18)15-32-22-11-12-23(30)29(28-22)21-9-7-17(8-10-21)24(31)27-20-6-2-5-19(26)14-20/h1-14H,15H2,(H,27,31)
InChIKeyYMZJVUVUBPUVAH-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.34
Rot. Bonds6

About N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (PubChem CID 53005588) has the molecular formula C24H17F2N3O3 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
PubChem CID53005588
Molecular FormulaC24H17F2N3O3
Molecular Weight433.41 g/mol
Exact Mass433.12
IUPAC NameN-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C24H17F2N3O3/c25-18-4-1-3-16(13-18)15-32-22-11-12-23(30)29(28-22)21-9-7-17(8-10-21)24(31)27-20-6-2-5-19(26)14-20/h1-14H,15H2,(H,27,31)
InChIKeyYMZJVUVUBPUVAH-UHFFFAOYSA-N
XLogP4.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1472463
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CID 4328418
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CID 1472474
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CID 3090235
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CID 24014727
CID 24014727
CID 7760837
CID 7760837
CID 25284226
CID 25284226
CID 25284227
CID 25284227
CID 25284228
CID 25284228
CID 25284229
CID 25284229
CID 42161921
CID 42161921
CID 1262510
CID 1262510

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (CID 53005588) is N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is O=C(Nc1cccc(F)c1)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The InChIKey is YMZJVUVUBPUVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O3/c25-18-4-1-3-16(13-18)15-32-22-11-12-23(30)29(28-22)21-9-7-17(8-10-21)24(31)27-20-6-2-5-19(26)14-20/h1-14H,15H2,(H,27,31).
What are the key properties of N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide has a molecular weight of 433.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 53005588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).