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

C18H13BrFN3O3 — CID 26842188

IUPACN-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-8-4-12(20)5-9-14)22-17(15)18(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25)
InChIKeyNGZVLJDATQZQHB-UHFFFAOYSA-N
MW418.22 g/mol
LogP3.39
Rot. Bonds4

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

N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 26842188) has the molecular formula C18H13BrFN3O3 and a molecular weight of 418.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID26842188
Molecular FormulaC18H13BrFN3O3
Molecular Weight418.22 g/mol
Exact Mass417.01
IUPAC NameN-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-8-4-12(20)5-9-14)22-17(15)18(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25)
InChIKeyNGZVLJDATQZQHB-UHFFFAOYSA-N
XLogP3.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 26842188) is N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is NGZVLJDATQZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-8-4-12(20)5-9-14)22-17(15)18(25)21-13-6-2-11(19)3-7-13/h2-10H,1H3,(H,21,25).
What are the key properties of N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 418.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).