2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide

C14H17FN2O3 — CID 110710097

IUPAC2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
SMILESCN1CC(CNC(=O)Cc2ccc(F)cc2)OCC1=O
InChIInChI=1S/C14H17FN2O3/c1-17-8-12(20-9-14(17)19)7-16-13(18)6-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H,16,18)
InChIKeyIUUWDLMAKFNPQQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.34
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide (PubChem CID 110710097) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
PubChem CID110710097
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
SMILESCN1CC(CNC(=O)Cc2ccc(F)cc2)OCC1=O
InChIInChI=1S/C14H17FN2O3/c1-17-8-12(20-9-14(17)19)7-16-13(18)6-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H,16,18)
InChIKeyIUUWDLMAKFNPQQ-UHFFFAOYSA-N
XLogP0.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide (CID 110710097) is 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide is CN1CC(CNC(=O)Cc2ccc(F)cc2)OCC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide?
The InChIKey is IUUWDLMAKFNPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-17-8-12(20-9-14(17)19)7-16-13(18)6-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide has a molecular weight of 280.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide is sourced from PubChem (CID 110710097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).