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

C18H13BrFN3O3 — CID 26842190

IUPACN-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-7-5-12(20)6-8-14)22-17(15)18(25)21-13-4-2-3-11(19)9-13/h2-10H,1H3,(H,21,25)
InChIKeyZNRUTGBGKXHGFB-UHFFFAOYSA-N
MW418.22 g/mol
LogP3.39
Rot. Bonds4

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

N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 26842190) has the molecular formula C18H13BrFN3O3 and a molecular weight of 418.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID26842190
Molecular FormulaC18H13BrFN3O3
Molecular Weight418.22 g/mol
Exact Mass417.01
IUPAC NameN-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-7-5-12(20)6-8-14)22-17(15)18(25)21-13-4-2-3-11(19)9-13/h2-10H,1H3,(H,21,25)
InChIKeyZNRUTGBGKXHGFB-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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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 26842180
Ethyl 1-(3-bromophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 7386837
1-(3-Bromophenyl)-4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 54686262
N-tert-butyl-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556390
N-(2,5-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 8557376
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 18568942
N-(4-bromo-2-fluorophenyl)-4-methoxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 26842148
N-(4-bromo-2-fluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 26842163
N-(4-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 26842188
N-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 26842189
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-phenyl-1,6-dihydropyridazine-3-carboxamide
CID 44017002
N-[4-(diethylamino)phenyl]-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8549346

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 26842190) is N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is ZNRUTGBGKXHGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O3/c1-26-15-10-16(24)23(14-7-5-12(20)6-8-14)22-17(15)18(25)21-13-4-2-3-11(19)9-13/h2-10H,1H3,(H,21,25).
What are the key properties of N-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(3-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-(3-bromophenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26842190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).