2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide

C21H28FN3O2 — CID 56728951

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
SMILESCC(C)CCCCC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H28FN3O2/c1-15(2)6-4-5-7-16(3)23-20(26)14-25-21(27)13-12-19(24-25)17-8-10-18(22)11-9-17/h8-13,15-16H,4-7,14H2,1-3H3,(H,23,26)
InChIKeyYWTXWWNVFOIMQN-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.77
Rot. Bonds9

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide (PubChem CID 56728951) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
PubChem CID56728951
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
SMILESCC(C)CCCCC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H28FN3O2/c1-15(2)6-4-5-7-16(3)23-20(26)14-25-21(27)13-12-19(24-25)17-8-10-18(22)11-9-17/h8-13,15-16H,4-7,14H2,1-3H3,(H,23,26)
InChIKeyYWTXWWNVFOIMQN-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 52900099
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 51052238
N-(2,6-dimethoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 43816144
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide (CID 56728951) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide is CC(C)CCCCC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide?
The InChIKey is YWTXWWNVFOIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-15(2)6-4-5-7-16(3)23-20(26)14-25-21(27)13-12-19(24-25)17-8-10-18(22)11-9-17/h8-13,15-16H,4-7,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide has a molecular weight of 373.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide is sourced from PubChem (CID 56728951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).