4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide

C24H16ClF2N3O3 — CID 53005574

IUPAC4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H16ClF2N3O3/c25-17-5-1-15(2-6-17)14-33-22-11-12-23(31)30(29-22)19-8-3-16(4-9-19)24(32)28-18-7-10-20(26)21(27)13-18/h1-13H,14H2,(H,28,32)
InChIKeyCOHFBRNRXFWWNA-UHFFFAOYSA-N
MW467.86 g/mol
LogP5.00
Rot. Bonds6

About 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide (PubChem CID 53005574) has the molecular formula C24H16ClF2N3O3 and a molecular weight of 467.86 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide
PubChem CID53005574
Molecular FormulaC24H16ClF2N3O3
Molecular Weight467.86 g/mol
Exact Mass467.08
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H16ClF2N3O3/c25-17-5-1-15(2-6-17)14-33-22-11-12-23(31)30(29-22)19-8-3-16(4-9-19)24(32)28-18-7-10-20(26)21(27)13-18/h1-13H,14H2,(H,28,32)
InChIKeyCOHFBRNRXFWWNA-UHFFFAOYSA-N
XLogP5.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Oxo-1-phenyl-1,6-dihydro-3-pyridazinyl 4-chlorobenzenecarboxylate
CID 1472473
N-(5-Chloro-2-methoxyphenyl)-4-{3-[(3-fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}benzamide
CID 53062431
4-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1367813
4-{3-[(4-Chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}-N-(2-fluorophenyl)benzamide
CID 53005564
4-[3-[(4-chlorobenzyl)oxy]-6-oxo-1(6H)-pyridazinyl]-N-(4-fluorophenyl)benzamide
CID 53005565
4-{3-[(4-Chlorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}-N-(2,5-difluorophenyl)benzamide
CID 53005573
4-[3-[(3-fluorobenzyl)oxy]-6-oxo-1(6H)-pyridazinyl]-N-(2-fluorophenyl)benzamide
CID 53005587
N-(3-Fluorophenyl)-4-{3-[(3-fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}benzamide
CID 53005588
N-(4-Fluorophenyl)-4-{3-[(3-fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}benzamide
CID 53005589
Methyl 2-(4-{3-[(3-fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}benzamido)benzoate
CID 53005590
N-cyclopropyl-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
CID 53005592
4-{3-[(3-Fluorophenyl)methoxy]-6-oxo-1,6-dihydropyridazin-1-YL}-N-(4-phenylbutan-2-YL)benzamide
CID 53005595

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide (CID 53005574) is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide?
The InChIKey is COHFBRNRXFWWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O3/c25-17-5-1-15(2-6-17)14-33-22-11-12-23(31)30(29-22)19-8-3-16(4-9-19)24(32)28-18-7-10-20(26)21(27)13-18/h1-13H,14H2,(H,28,32).
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide?
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide has a molecular weight of 467.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 53005574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).