2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one

C17H12Cl3N3O — CID 13235864

IUPAC2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CNc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3N3O/c18-12-2-4-13(5-3-12)21-10-23-17(24)8-7-16(22-23)11-1-6-14(19)15(20)9-11/h1-9,21H,10H2
InChIKeyQOCFBCXMWCJNPR-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.94
Rot. Bonds4

About 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one

2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one (PubChem CID 13235864) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one
PubChem CID13235864
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CNc1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl3N3O/c18-12-2-4-13(5-3-12)21-10-23-17(24)8-7-16(22-23)11-1-6-14(19)15(20)9-11/h1-9,21H,10H2
InChIKeyQOCFBCXMWCJNPR-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one (CID 13235864) is 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one is O=c1ccc(-c2ccc(Cl)c(Cl)c2)nn1CNc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one?
The InChIKey is QOCFBCXMWCJNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-12-2-4-13(5-3-12)21-10-23-17(24)8-7-16(22-23)11-1-6-14(19)15(20)9-11/h1-9,21H,10H2.
What are the key properties of 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one?
2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one has a molecular weight of 380.66 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloroanilino)methyl]-6-(3,4-dichlorophenyl)pyridazin-3-one is sourced from PubChem (CID 13235864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).