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

C20H18FN3O2 — CID 4582595

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-2-6-16(7-3-14)18-10-11-20(26)24(23-18)13-19(25)22-12-15-4-8-17(21)9-5-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyOIRBGYAPDDXDSO-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.67
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 4582595) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID4582595
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H18FN3O2/c1-14-2-6-16(7-3-14)18-10-11-20(26)24(23-18)13-19(25)22-12-15-4-8-17(21)9-5-15/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyOIRBGYAPDDXDSO-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 4582595) is N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is OIRBGYAPDDXDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-2-6-16(7-3-14)18-10-11-20(26)24(23-18)13-19(25)22-12-15-4-8-17(21)9-5-15/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 4582595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).