2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one

C20H19ClFN3O — CID 167847480

IUPAC2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one
SMILESCC(c1ccccc1F)N(C)c1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H19ClFN3O/c1-14(16-10-6-7-11-17(16)22)24(2)18-12-23-25(20(26)19(18)21)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyRJXCJVHNZDEMKZ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.28
Rot. Bonds5

About 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one

2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one (PubChem CID 167847480) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one
PubChem CID167847480
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one
SMILESCC(c1ccccc1F)N(C)c1cnn(Cc2ccccc2)c(=O)c1Cl
InChIInChI=1S/C20H19ClFN3O/c1-14(16-10-6-7-11-17(16)22)24(2)18-12-23-25(20(26)19(18)21)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3
InChIKeyRJXCJVHNZDEMKZ-UHFFFAOYSA-N
XLogP4.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one (CID 167847480) is 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one is CC(c1ccccc1F)N(C)c1cnn(Cc2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one?
The InChIKey is RJXCJVHNZDEMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c1-14(16-10-6-7-11-17(16)22)24(2)18-12-23-25(20(26)19(18)21)13-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one?
2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one has a molecular weight of 371.84 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[1-(2-fluorophenyl)ethyl-methylamino]pyridazin-3-one is sourced from PubChem (CID 167847480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).