2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one

C21H20ClFN4O2 — CID 2018085

IUPAC2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-15-5-7-16(8-6-15)27-20(28)10-9-18(24-27)21(29)26-13-11-25(12-14-26)19-4-2-1-3-17(19)23/h1-9,24H,10-14H2
InChIKeyJHSSKSMNHLSLMO-UHFFFAOYSA-N
MW414.87 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one

2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one (PubChem CID 2018085) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
PubChem CID2018085
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC Name2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
SMILESO=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H20ClFN4O2/c22-15-5-7-16(8-6-15)27-20(28)10-9-18(24-27)21(29)26-13-11-25(12-14-26)19-4-2-1-3-17(19)23/h1-9,24H,10-14H2
InChIKeyJHSSKSMNHLSLMO-UHFFFAOYSA-N
XLogP2.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2022842
6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2021300
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2035383
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002922
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(4-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 975323
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 5029102
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one (CID 2018085) is 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one is O=C(C1=CCC(=O)N(c2ccc(Cl)cc2)N1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one?
The InChIKey is JHSSKSMNHLSLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-15-5-7-16(8-6-15)27-20(28)10-9-18(24-27)21(29)26-13-11-25(12-14-26)19-4-2-1-3-17(19)23/h1-9,24H,10-14H2.
What are the key properties of 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one?
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one has a molecular weight of 414.87 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2018085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).