2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide

C15H18FNO4 — CID 123433302

IUPAC2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(CCC2(C)OCCO2)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-15(20-7-8-21-15)6-5-10-3-4-11(9-12(10)16)13(18)14(19)17-2/h3-4,9H,5-8H2,1-2H3,(H,17,19)
InChIKeyUWJMMJMNYUSJFH-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.45
Rot. Bonds5

About 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide

2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide (PubChem CID 123433302) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide
PubChem CID123433302
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(CCC2(C)OCCO2)c(F)c1
InChIInChI=1S/C15H18FNO4/c1-15(20-7-8-21-15)6-5-10-3-4-11(9-12(10)16)13(18)14(19)17-2/h3-4,9H,5-8H2,1-2H3,(H,17,19)
InChIKeyUWJMMJMNYUSJFH-UHFFFAOYSA-N
XLogP1.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide?
The IUPAC name of 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide (CID 123433302) is 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccc(CCC2(C)OCCO2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide?
The InChIKey is UWJMMJMNYUSJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(20-7-8-21-15)6-5-10-3-4-11(9-12(10)16)13(18)14(19)17-2/h3-4,9H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide?
2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide has a molecular weight of 295.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]phenyl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 123433302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).