2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide

C17H18FN3O3 — CID 91909656

IUPAC2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-20-13(10-21-8-2-3-15(21)17(20)23)9-19-16(22)11-24-14-6-4-12(18)5-7-14/h2-8,13H,9-11H2,1H3,(H,19,22)
InChIKeyCMJCZDSZHUZGEK-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide (PubChem CID 91909656) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide
PubChem CID91909656
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide
SMILESCN1C(=O)c2cccn2CC1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3/c1-20-13(10-21-8-2-3-15(21)17(20)23)9-19-16(22)11-24-14-6-4-12(18)5-7-14/h2-8,13H,9-11H2,1H3,(H,19,22)
InChIKeyCMJCZDSZHUZGEK-UHFFFAOYSA-N
XLogP1.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 133123523
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-[[(5R)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40925353
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
2-(4-aminophenoxy)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63886501
2-(4-chlorophenoxy)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)acetamide
CID 90567514
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 90635244
2-[(2S,4S)-4-fluoro-2-[[(2-phenoxyacetyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 128971706
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide (CID 91909656) is 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide is CN1C(=O)c2cccn2CC1CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide?
The InChIKey is CMJCZDSZHUZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-20-13(10-21-8-2-3-15(21)17(20)23)9-19-16(22)11-24-14-6-4-12(18)5-7-14/h2-8,13H,9-11H2,1H3,(H,19,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide has a molecular weight of 331.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]acetamide is sourced from PubChem (CID 91909656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).