4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide

C24H16ClF2N3O3 — CID 53005573

IUPAC4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)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)28-21-13-18(26)7-10-20(21)27/h1-13H,14H2,(H,28,32)
InChIKeyDNKIFXPOOMDDBE-UHFFFAOYSA-N
MW467.86 g/mol
LogP5.00
Rot. Bonds6

About 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide (PubChem CID 53005573) 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-(2,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide
PubChem CID53005573
Molecular FormulaC24H16ClF2N3O3
Molecular Weight467.86 g/mol
Exact Mass467.08
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)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)28-21-13-18(26)7-10-20(21)27/h1-13H,14H2,(H,28,32)
InChIKeyDNKIFXPOOMDDBE-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide (CID 53005573) is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide is O=C(Nc1cc(F)ccc1F)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide?
The InChIKey is DNKIFXPOOMDDBE-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)28-21-13-18(26)7-10-20(21)27/h1-13H,14H2,(H,28,32).
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)benzamide?
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(2,5-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-(2,5-difluorophenyl)benzamide is sourced from PubChem (CID 53005573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).