N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C15H15BrFN3O2 — CID 52572880

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2cc(Br)ccc2F)ccc1=O
InChIInChI=1S/C15H15BrFN3O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-9-10-8-11(16)3-4-12(10)17/h3-6,8H,2,7,9H2,1H3,(H,18,22)
InChIKeyRIFSQAITWZJCDX-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.48
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 52572880) has the molecular formula C15H15BrFN3O2 and a molecular weight of 368.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID52572880
Molecular FormulaC15H15BrFN3O2
Molecular Weight368.21 g/mol
Exact Mass367.03
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2cc(Br)ccc2F)ccc1=O
InChIInChI=1S/C15H15BrFN3O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-9-10-8-11(16)3-4-12(10)17/h3-6,8H,2,7,9H2,1H3,(H,18,22)
InChIKeyRIFSQAITWZJCDX-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
1-(2-aminoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107497846
3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18119515
N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoropyridine-2-carboxamide
CID 115497663
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
6-oxo-1-propyl-N'-(2,4,6-trichlorophenyl)pyridazine-3-carbohydrazide
CID 34933662
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 52572880) is N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2cc(Br)ccc2F)ccc1=O.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is RIFSQAITWZJCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O2/c1-2-7-20-14(21)6-5-13(19-20)15(22)18-9-10-8-11(16)3-4-12(10)17/h3-6,8H,2,7,9H2,1H3,(H,18,22).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 368.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 52572880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).