6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one

C18H14Cl2FN3O2 — CID 23647372

IUPAC6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one
SMILESO=c1ccc(N(CCO)c2ccc(F)cc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c19-13-3-1-2-4-16(13)24-18(26)8-7-17(22-24)23(9-10-25)15-6-5-12(21)11-14(15)20/h1-8,11,25H,9-10H2
InChIKeySSVPNEAXULRSCF-UHFFFAOYSA-N
MW394.23 g/mol
LogP3.81
Rot. Bonds5

About 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one

6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one (PubChem CID 23647372) has the molecular formula C18H14Cl2FN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one
PubChem CID23647372
Molecular FormulaC18H14Cl2FN3O2
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC Name6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one
SMILESO=c1ccc(N(CCO)c2ccc(F)cc2Cl)nn1-c1ccccc1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c19-13-3-1-2-4-16(13)24-18(26)8-7-17(22-24)23(9-10-25)15-6-5-12(21)11-14(15)20/h1-8,11,25H,9-10H2
InChIKeySSVPNEAXULRSCF-UHFFFAOYSA-N
XLogP3.81
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one?
The IUPAC name of 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one (CID 23647372) is 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one is O=c1ccc(N(CCO)c2ccc(F)cc2Cl)nn1-c1ccccc1Cl.
What is the InChIKey of 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one?
The InChIKey is SSVPNEAXULRSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O2/c19-13-3-1-2-4-16(13)24-18(26)8-7-17(22-24)23(9-10-25)15-6-5-12(21)11-14(15)20/h1-8,11,25H,9-10H2.
What are the key properties of 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one?
6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one has a molecular weight of 394.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-fluoro-N-(2-hydroxyethyl)anilino]-2-(2-chlorophenyl)pyridazin-3-one is sourced from PubChem (CID 23647372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).