N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide

C11H11F2NO3 — CID 539751

IUPACN-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(OCC2CO2)c(F)c1
InChIInChI=1S/C11H11F2NO3/c1-6(15)14-7-2-9(12)11(10(13)3-7)17-5-8-4-16-8/h2-3,8H,4-5H2,1H3,(H,14,15)
InChIKeyMWFJMSZSZPYNCB-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.70
Rot. Bonds4

About N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide

N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide (PubChem CID 539751) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
PubChem CID539751
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC NameN-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(OCC2CO2)c(F)c1
InChIInChI=1S/C11H11F2NO3/c1-6(15)14-7-2-9(12)11(10(13)3-7)17-5-8-4-16-8/h2-3,8H,4-5H2,1H3,(H,14,15)
InChIKeyMWFJMSZSZPYNCB-UHFFFAOYSA-N
XLogP1.70
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide (CID 539751) is N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide is CC(=O)Nc1cc(F)c(OCC2CO2)c(F)c1.
What is the InChIKey of N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
The InChIKey is MWFJMSZSZPYNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-6(15)14-7-2-9(12)11(10(13)3-7)17-5-8-4-16-8/h2-3,8H,4-5H2,1H3,(H,14,15).
What are the key properties of N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide?
N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide has a molecular weight of 243.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-(oxiran-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 539751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).