5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one

C19H17ClFN3O — CID 19245540

IUPAC5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(Cc1ccccc1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl
InChIInChI=1S/C19H17ClFN3O/c1-23(12-14-5-3-2-4-6-14)17-11-22-24(19(25)18(17)20)13-15-7-9-16(21)10-8-15/h2-11H,12-13H2,1H3
InChIKeyZATZJNVPCYKYOH-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.72
Rot. Bonds5

About 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one

5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 19245540) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
PubChem CID19245540
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
SMILESCN(Cc1ccccc1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl
InChIInChI=1S/C19H17ClFN3O/c1-23(12-14-5-3-2-4-6-14)17-11-22-24(19(25)18(17)20)13-15-7-9-16(21)10-8-15/h2-11H,12-13H2,1H3
InChIKeyZATZJNVPCYKYOH-UHFFFAOYSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one (CID 19245540) is 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one is CN(Cc1ccccc1)c1cnn(Cc2ccc(F)cc2)c(=O)c1Cl.
What is the InChIKey of 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is ZATZJNVPCYKYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-23(12-14-5-3-2-4-6-14)17-11-22-24(19(25)18(17)20)13-15-7-9-16(21)10-8-15/h2-11H,12-13H2,1H3.
What are the key properties of 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one?
5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 357.82 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 19245540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).