N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

C25H19ClFN3O4 — CID 53062431

IUPACN-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C25H19ClFN3O4/c1-33-22-10-7-18(26)14-21(22)28-25(32)17-5-8-20(9-6-17)30-24(31)12-11-23(29-30)34-15-16-3-2-4-19(27)13-16/h2-14H,15H2,1H3,(H,28,32)
InChIKeyIIBQPZQVNJDQFR-UHFFFAOYSA-N
MW479.90 g/mol
LogP4.86
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (PubChem CID 53062431) has the molecular formula C25H19ClFN3O4 and a molecular weight of 479.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
PubChem CID53062431
Molecular FormulaC25H19ClFN3O4
Molecular Weight479.90 g/mol
Exact Mass479.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C25H19ClFN3O4/c1-33-22-10-7-18(26)14-21(22)28-25(32)17-5-8-20(9-6-17)30-24(31)12-11-23(29-30)34-15-16-3-2-4-19(27)13-16/h2-14H,15H2,1H3,(H,28,32)
InChIKeyIIBQPZQVNJDQFR-UHFFFAOYSA-N
XLogP4.86
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (CID 53062431) is N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The InChIKey is IIBQPZQVNJDQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O4/c1-33-22-10-7-18(26)14-21(22)28-25(32)17-5-8-20(9-6-17)30-24(31)12-11-23(29-30)34-15-16-3-2-4-19(27)13-16/h2-14H,15H2,1H3,(H,28,32).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide has a molecular weight of 479.90 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 53062431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).