1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C19H15F2N3O2 — CID 42161936

IUPAC1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H15F2N3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26)
InChIKeyDPLNHYNFIYLJBN-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.50
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42161936) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID42161936
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H15F2N3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26)
InChIKeyDPLNHYNFIYLJBN-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
1-benzyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 2579680
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
6-phenyl-2-(4-vinylbenzyl)pyridazin-3(2H)-one
CID 23608995
(S)-1-(3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44426731
2-(4-fluorobenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662356
2-benzyl-6-phenylpyridazin-3(2H)-one
CID 6459134
2-benzyl-6-styryl-4,5-dihydro-3(2H)-pyridazinone
CID 1472186

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 42161936) is 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is DPLNHYNFIYLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).