2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one

C19H24ClFN2O2 — CID 24864643

IUPAC2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one
SMILESCC(F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
InChIInChI=1S/C19H24ClFN2O2/c1-13(21)5-6-14-7-9-15(10-8-14)12-25-16-11-22-23(19(2,3)4)18(24)17(16)20/h7-11,13H,5-6,12H2,1-4H3
InChIKeyMBOUAMRPAMORPE-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.52
Rot. Bonds6

About 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one

2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one (PubChem CID 24864643) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one
PubChem CID24864643
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC Name2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one
SMILESCC(F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
InChIInChI=1S/C19H24ClFN2O2/c1-13(21)5-6-14-7-9-15(10-8-14)12-25-16-11-22-23(19(2,3)4)18(24)17(16)20/h7-11,13H,5-6,12H2,1-4H3
InChIKeyMBOUAMRPAMORPE-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one (CID 24864643) is 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one is CC(F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one?
The InChIKey is MBOUAMRPAMORPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c1-13(21)5-6-14-7-9-15(10-8-14)12-25-16-11-22-23(19(2,3)4)18(24)17(16)20/h7-11,13H,5-6,12H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one has a molecular weight of 366.86 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[4-(3-fluorobutyl)phenyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 24864643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).