1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide

C13H17FN2O3 — CID 88919955

IUPAC1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
SMILESCOCCC(N)=O.O=C1CN1Cc1cccc(F)c1
InChIInChI=1S/C9H8FNO.C4H9NO2/c10-8-3-1-2-7(4-8)5-11-6-9(11)12;1-7-3-2-4(5)6/h1-4H,5-6H2;2-3H2,1H3,(H2,5,6)
InChIKeyYFNLFGBOZDDDGH-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.68
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide

1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide (PubChem CID 88919955) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
PubChem CID88919955
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide
SMILESCOCCC(N)=O.O=C1CN1Cc1cccc(F)c1
InChIInChI=1S/C9H8FNO.C4H9NO2/c10-8-3-1-2-7(4-8)5-11-6-9(11)12;1-7-3-2-4(5)6/h1-4H,5-6H2;2-3H2,1H3,(H2,5,6)
InChIKeyYFNLFGBOZDDDGH-UHFFFAOYSA-N
XLogP0.68
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
2-[(3-fluorophenyl)methyl]-6-(2-methoxyethyl)-2,6-diazaspiro[4.5]decan-3-one
CID 134076632
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
N-(2-amino-2-oxoethoxy)-2-(3-fluorophenyl)acetamide
CID 112551000
(3S)-1-[(3-fluorophenyl)methyl]-4-(3-hydroxypropyl)-3-methylpiperazine-2,5-dione
CID 165424719
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
2-(3-fluorophenyl)-1-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 131641109
2-(3-fluorophenyl)-1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]ethanone
CID 110662498
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide (CID 88919955) is 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide is COCCC(N)=O.O=C1CN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide?
The InChIKey is YFNLFGBOZDDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO.C4H9NO2/c10-8-3-1-2-7(4-8)5-11-6-9(11)12;1-7-3-2-4(5)6/h1-4H,5-6H2;2-3H2,1H3,(H2,5,6).
What are the key properties of 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide?
1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide has a molecular weight of 268.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]aziridin-2-one;3-methoxypropanamide is sourced from PubChem (CID 88919955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).