4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one

C17H11Cl3FN3O — CID 55824323

IUPAC4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H11Cl3FN3O/c18-13-7-12(24-17(25)16(20)14(19)9-23-24)5-6-15(13)22-8-10-1-3-11(21)4-2-10/h1-7,9,22H,8H2
InChIKeyGOTAQILZPGAWSD-UHFFFAOYSA-N
MW398.65 g/mol
LogP4.94
Rot. Bonds4

About 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one

4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one (PubChem CID 55824323) has the molecular formula C17H11Cl3FN3O and a molecular weight of 398.65 g/mol. Its IUPAC name is 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one
PubChem CID55824323
Molecular FormulaC17H11Cl3FN3O
Molecular Weight398.65 g/mol
Exact Mass397.00
IUPAC Name4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C17H11Cl3FN3O/c18-13-7-12(24-17(25)16(20)14(19)9-23-24)5-6-15(13)22-8-10-1-3-11(21)4-2-10/h1-7,9,22H,8H2
InChIKeyGOTAQILZPGAWSD-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one (CID 55824323) is 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1-c1ccc(NCc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one?
The InChIKey is GOTAQILZPGAWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3FN3O/c18-13-7-12(24-17(25)16(20)14(19)9-23-24)5-6-15(13)22-8-10-1-3-11(21)4-2-10/h1-7,9,22H,8H2.
What are the key properties of 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one?
4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one has a molecular weight of 398.65 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[3-chloro-4-[(4-fluorophenyl)methylamino]phenyl]pyridazin-3-one is sourced from PubChem (CID 55824323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).