N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C20H18FN3O3 — CID 51043150

IUPACN-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-27-15-7-8-16(17(21)11-15)18-9-10-20(26)24(23-18)13-19(25)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyCCPNNGYVKBLLQO-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.37
Rot. Bonds6

About N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51043150) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51043150
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-27-15-7-8-16(17(21)11-15)18-9-10-20(26)24(23-18)13-19(25)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyCCPNNGYVKBLLQO-UHFFFAOYSA-N
XLogP2.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51049147
2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid
CID 53371341
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 51049159
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
methyl (2S)-2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91639933
methyl 2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 91821632
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 51054929
6-(2-fluoro-4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 51043193
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121051555
N-(2,4-dimethoxyphenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51048517
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052137

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 51043150) is N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3)n2)c(F)c1.
What is the InChIKey of N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CCPNNGYVKBLLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-15-7-8-16(17(21)11-15)18-9-10-20(26)24(23-18)13-19(25)22-12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51043150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).