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

C18H15ClF2N4O — CID 168964318

IUPAC4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(N(C)c3cc(F)cc(F)c3)cc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-22-16-10-23-25(18(26)17(16)19)14-5-3-13(4-6-14)24(2)15-8-11(20)7-12(21)9-15/h3-10,22H,1-2H3
InChIKeyMEMDSLKDIRKWHB-UHFFFAOYSA-N
MW376.79 g/mol
LogP3.97
Rot. Bonds4

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

4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one (PubChem CID 168964318) has the molecular formula C18H15ClF2N4O and a molecular weight of 376.79 g/mol. Its IUPAC name is 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one
PubChem CID168964318
Molecular FormulaC18H15ClF2N4O
Molecular Weight376.79 g/mol
Exact Mass376.09
IUPAC Name4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(-c2ccc(N(C)c3cc(F)cc(F)c3)cc2)c(=O)c1Cl
InChIInChI=1S/C18H15ClF2N4O/c1-22-16-10-23-25(18(26)17(16)19)14-5-3-13(4-6-14)24(2)15-8-11(20)7-12(21)9-15/h3-10,22H,1-2H3
InChIKeyMEMDSLKDIRKWHB-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one (CID 168964318) is 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(-c2ccc(N(C)c3cc(F)cc(F)c3)cc2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is MEMDSLKDIRKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4O/c1-22-16-10-23-25(18(26)17(16)19)14-5-3-13(4-6-14)24(2)15-8-11(20)7-12(21)9-15/h3-10,22H,1-2H3.
What are the key properties of 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one?
4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 376.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-(3,5-difluoro-N-methylanilino)phenyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 168964318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).