4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one

C16H18Cl2FN3O — CID 55813498

IUPAC4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one
SMILESCC(C)(C)C(NCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H18Cl2FN3O/c1-16(2,3)14(10-4-6-11(19)7-5-10)20-9-22-15(23)13(18)12(17)8-21-22/h4-8,14,20H,9H2,1-3H3
InChIKeyODLIMVNBIPBTCH-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.02
Rot. Bonds4

About 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one

4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one (PubChem CID 55813498) has the molecular formula C16H18Cl2FN3O and a molecular weight of 358.24 g/mol. Its IUPAC name is 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one
PubChem CID55813498
Molecular FormulaC16H18Cl2FN3O
Molecular Weight358.24 g/mol
Exact Mass357.08
IUPAC Name4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one
SMILESCC(C)(C)C(NCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1
InChIInChI=1S/C16H18Cl2FN3O/c1-16(2,3)14(10-4-6-11(19)7-5-10)20-9-22-15(23)13(18)12(17)8-21-22/h4-8,14,20H,9H2,1-3H3
InChIKeyODLIMVNBIPBTCH-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.02
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-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one (CID 55813498) is 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one is CC(C)(C)C(NCn1ncc(Cl)c(Cl)c1=O)c1ccc(F)cc1.
What is the InChIKey of 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one?
The InChIKey is ODLIMVNBIPBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2FN3O/c1-16(2,3)14(10-4-6-11(19)7-5-10)20-9-22-15(23)13(18)12(17)8-21-22/h4-8,14,20H,9H2,1-3H3.
What are the key properties of 4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one?
4,5-dichloro-2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one has a molecular weight of 358.24 g/mol, XLogP of 4.02, 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-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]pyridazin-3-one is sourced from PubChem (CID 55813498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).