N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C19H15BrFN3O3 — CID 18568942

IUPACN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C19H15BrFN3O3/c1-11-9-12(20)3-8-15(11)22-19(26)18-16(27-2)10-17(25)24(23-18)14-6-4-13(21)5-7-14/h3-10H,1-2H3,(H,22,26)
InChIKeyMOFWFHGKGNZRDS-UHFFFAOYSA-N
MW432.25 g/mol
LogP3.70
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 18568942) has the molecular formula C19H15BrFN3O3 and a molecular weight of 432.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID18568942
Molecular FormulaC19H15BrFN3O3
Molecular Weight432.25 g/mol
Exact Mass431.03
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C19H15BrFN3O3/c1-11-9-12(20)3-8-15(11)22-19(26)18-16(27-2)10-17(25)24(23-18)14-6-4-13(21)5-7-14/h3-10H,1-2H3,(H,22,26)
InChIKeyMOFWFHGKGNZRDS-UHFFFAOYSA-N
XLogP3.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 18568942) is N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is MOFWFHGKGNZRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O3/c1-11-9-12(20)3-8-15(11)22-19(26)18-16(27-2)10-17(25)24(23-18)14-6-4-13(21)5-7-14/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 432.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 18568942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).