4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one

C18H14Cl2FN3O — CID 9195198

IUPAC4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one
SMILESCN(Cc1c(F)cccc1Cl)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2FN3O/c1-23(11-13-14(19)8-5-9-15(13)21)16-10-22-24(18(25)17(16)20)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyHJXUIDYZAIOCPU-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.31
Rot. Bonds4

About 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one

4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one (PubChem CID 9195198) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one
PubChem CID9195198
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one
SMILESCN(Cc1c(F)cccc1Cl)c1cnn(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C18H14Cl2FN3O/c1-23(11-13-14(19)8-5-9-15(13)21)16-10-22-24(18(25)17(16)20)12-6-3-2-4-7-12/h2-10H,11H2,1H3
InChIKeyHJXUIDYZAIOCPU-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one (CID 9195198) is 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one is CN(Cc1c(F)cccc1Cl)c1cnn(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one?
The InChIKey is HJXUIDYZAIOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c1-23(11-13-14(19)8-5-9-15(13)21)16-10-22-24(18(25)17(16)20)12-6-3-2-4-7-12/h2-10H,11H2,1H3.
What are the key properties of 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one has a molecular weight of 378.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 9195198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).