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

C18H13ClFN3O2 — CID 9072335

IUPAC1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H13ClFN3O2/c1-11-9-16(24)17(18(25)21-13-6-4-5-12(20)10-13)22-23(11)15-8-3-2-7-14(15)19/h2-10H,1H3,(H,21,25)
InChIKeyAHWROWOXLIMEPG-UHFFFAOYSA-N
MW357.77 g/mol
LogP3.59
Rot. Bonds3

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

1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 9072335) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID9072335
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H13ClFN3O2/c1-11-9-16(24)17(18(25)21-13-6-4-5-12(20)10-13)22-23(11)15-8-3-2-7-14(15)19/h2-10H,1H3,(H,21,25)
InChIKeyAHWROWOXLIMEPG-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-(3-cyanophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777620
1-(2-chlorophenyl)-N-(5-fluoro-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9266857
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
1-(2-chlorophenyl)-6-methyl-N-[4-(methylcarbamoyl)phenyl]-4-oxopyridazine-3-carboxamide
CID 9091495
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
N-(3-ethynylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 18147874
1-(2-chlorophenyl)-6-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 35358897
6-methyl-N-(3-methylphenyl)-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8871596
1-(2-fluorophenyl)-N-[3-(methoxymethyl)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 32638790
N-(4-amino-3,5-dichlorophenyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 46665346

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 9072335) is 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is AHWROWOXLIMEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-11-9-16(24)17(18(25)21-13-6-4-5-12(20)10-13)22-23(11)15-8-3-2-7-14(15)19/h2-10H,1H3,(H,21,25).
What are the key properties of 1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 357.77 g/mol, XLogP of 3.59, 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-(3-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9072335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).