1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C18H12ClF2N3O2 — CID 9078569

IUPAC1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)nn1-c1ccccc1Cl
InChIInChI=1S/C18H12ClF2N3O2/c1-10-8-16(25)17(23-24(10)15-5-3-2-4-12(15)19)18(26)22-14-7-6-11(20)9-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyCTHXYWWQTFMOMA-UHFFFAOYSA-N
MW375.76 g/mol
LogP3.72
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 9078569) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID9078569
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)nn1-c1ccccc1Cl
InChIInChI=1S/C18H12ClF2N3O2/c1-10-8-16(25)17(23-24(10)15-5-3-2-4-12(15)19)18(26)22-14-7-6-11(20)9-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyCTHXYWWQTFMOMA-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9072335
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
1-(2-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561745
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82421548

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 9078569) is 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccc(F)cc2F)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is CTHXYWWQTFMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c1-10-8-16(25)17(23-24(10)15-5-3-2-4-12(15)19)18(26)22-14-7-6-11(20)9-13(14)21/h2-9H,1H3,(H,22,26).
What are the key properties of 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 375.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9078569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).