N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

C18H16FN3O2S — CID 51129290

IUPACN-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3F)n2)s1
InChIInChI=1S/C18H16FN3O2S/c1-12-6-8-16(25-12)15-7-9-18(24)22(21-15)11-17(23)20-10-13-4-2-3-5-14(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyWGMJDCQSBDPCAB-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51129290) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51129290
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3F)n2)s1
InChIInChI=1S/C18H16FN3O2S/c1-12-6-8-16(25-12)15-7-9-18(24)22(21-15)11-17(23)20-10-13-4-2-3-5-14(13)19/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyWGMJDCQSBDPCAB-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 51129290) is N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3F)n2)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is WGMJDCQSBDPCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-12-6-8-16(25-12)15-7-9-18(24)22(21-15)11-17(23)20-10-13-4-2-3-5-14(13)19/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51129290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).