4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one

C19H18ClFN4O2 — CID 168964263

IUPAC4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(N(C)c3ccc(OCF)cc3)cc2)c(=O)c1Cl
InChIInChI=1S/C19H18ClFN4O2/c1-22-17-11-23-25(19(26)18(17)20)15-5-3-13(4-6-15)24(2)14-7-9-16(10-8-14)27-12-21/h3-11,22H,12H2,1-2H3
InChIKeyZQOZIDHVQAYGBH-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.00
Rot. Bonds6

About 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one

4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one (PubChem CID 168964263) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one
PubChem CID168964263
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(N(C)c3ccc(OCF)cc3)cc2)c(=O)c1Cl
InChIInChI=1S/C19H18ClFN4O2/c1-22-17-11-23-25(19(26)18(17)20)15-5-3-13(4-6-15)24(2)14-7-9-16(10-8-14)27-12-21/h3-11,22H,12H2,1-2H3
InChIKeyZQOZIDHVQAYGBH-UHFFFAOYSA-N
XLogP4.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one (CID 168964263) is 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(-c2ccc(N(C)c3ccc(OCF)cc3)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is ZQOZIDHVQAYGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-22-17-11-23-25(19(26)18(17)20)15-5-3-13(4-6-15)24(2)14-7-9-16(10-8-14)27-12-21/h3-11,22H,12H2,1-2H3.
What are the key properties of 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one?
4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 388.83 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-[4-(fluoromethoxy)-N-methylanilino]phenyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 168964263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).