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

C20H18FN3O3 — CID 3224452

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-16(18)17-10-11-20(26)24(23-17)13-19(25)22-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyDCQVSFVEDBTLLK-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.37
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224452) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224452
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-16(18)17-10-11-20(26)24(23-17)13-19(25)22-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyDCQVSFVEDBTLLK-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224452) is N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is DCQVSFVEDBTLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-18-5-3-2-4-16(18)17-10-11-20(26)24(23-17)13-19(25)22-12-14-6-8-15(21)9-7-14/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-(2-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-[(4-fluorophenyl)methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).