N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C21H20FN3O3 — CID 16885211

IUPACN-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3F)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-28-16-7-4-6-15(14-16)18-11-12-21(27)25(24-18)13-5-10-20(26)23-19-9-3-2-8-17(19)22/h2-4,6-9,11-12,14H,5,10,13H2,1H3,(H,23,26)
InChIKeyDGELMJOGEPDWIL-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.48
Rot. Bonds7

About N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885211) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885211
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCOc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3F)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-28-16-7-4-6-15(14-16)18-11-12-21(27)25(24-18)13-5-10-20(26)23-19-9-3-2-8-17(19)22/h2-4,6-9,11-12,14H,5,10,13H2,1H3,(H,23,26)
InChIKeyDGELMJOGEPDWIL-UHFFFAOYSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885266
4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)butanamide
CID 16885226
N-(4-butylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885261
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
N-[(4-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885276
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-[(2-chlorophenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885281
2-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 16885193
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885211) is N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is COc1cccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3F)n2)c1.
What is the InChIKey of N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is DGELMJOGEPDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-28-16-7-4-6-15(14-16)18-11-12-21(27)25(24-18)13-5-10-20(26)23-19-9-3-2-8-17(19)22/h2-4,6-9,11-12,14H,5,10,13H2,1H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 381.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).