N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C12H11BrFN3O2 — CID 34803866

IUPACN-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Br)cc2F)CCC1=O
InChIInChI=1S/C12H11BrFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-9-3-2-7(13)6-8(9)14/h2-3,6H,4-5H2,1H3,(H,15,19)
InChIKeyNSFLITOKEWKCTD-UHFFFAOYSA-N
MW328.14 g/mol
LogP2.13
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 34803866) has the molecular formula C12H11BrFN3O2 and a molecular weight of 328.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID34803866
Molecular FormulaC12H11BrFN3O2
Molecular Weight328.14 g/mol
Exact Mass327.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(Br)cc2F)CCC1=O
InChIInChI=1S/C12H11BrFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-9-3-2-7(13)6-8(9)14/h2-3,6H,4-5H2,1H3,(H,15,19)
InChIKeyNSFLITOKEWKCTD-UHFFFAOYSA-N
XLogP2.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.14
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]benzoic acid
CID 63190053
N-(2,5-dimethylphenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285275
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
N-(4-bromo-2-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261907
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56536270
1-(4-bromophenyl)-N-(2,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4673811
N-[2,6-di(propan-2-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 27285482
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884
N-(5-bromo-2-methoxyphenyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 55906153
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17422707

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 34803866) is N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(Br)cc2F)CCC1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NSFLITOKEWKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O2/c1-17-11(18)5-4-10(16-17)12(19)15-9-3-2-7(13)6-8(9)14/h2-3,6H,4-5H2,1H3,(H,15,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 328.14 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 34803866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).