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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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
1-((R)-5-((S)-3-amino-2-fluoropropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 11848366
(S)-1-(5-(3-aminopropyl)-3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435350
2-[(2E)-2-Benzylidenehydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 5334512
2-[(2Z)-2-(1-methyl-3-phenylpropylidene)hydrazino]-2-oxo-N-(1-phenylethyl)acetamide
CID 6387008
N-methyl-2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]acetamide
CID 714735
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
2-(4-fluorobenzyl)-6-phenylpyridazin-3(2H)-one
CID 7659607
2-(2,5-dimethylbenzyl)-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 7662489

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).