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

C18H12BrF2N3O3 — CID 26842189

IUPACN-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H12BrF2N3O3/c1-27-15-9-16(25)24(12-5-3-11(20)4-6-12)23-17(15)18(26)22-14-7-2-10(19)8-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyZUSIQWZMRSYAHF-UHFFFAOYSA-N
MW436.21 g/mol
LogP3.53
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 26842189) has the molecular formula C18H12BrF2N3O3 and a molecular weight of 436.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID26842189
Molecular FormulaC18H12BrF2N3O3
Molecular Weight436.21 g/mol
Exact Mass435.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H12BrF2N3O3/c1-27-15-9-16(25)24(12-5-3-11(20)4-6-12)23-17(15)18(26)22-14-7-2-10(19)8-13(14)21/h2-9H,1H3,(H,22,26)
InChIKeyZUSIQWZMRSYAHF-UHFFFAOYSA-N
XLogP3.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.21
LogP ≤ 53.53
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-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 26842189) is N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is ZUSIQWZMRSYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2N3O3/c1-27-15-9-16(25)24(12-5-3-11(20)4-6-12)23-17(15)18(26)22-14-7-2-10(19)8-13(14)21/h2-9H,1H3,(H,22,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 436.21 g/mol, XLogP of 3.53, 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-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26842189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).