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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Related Compounds

N-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 737230
N-[5-acetyl-2-(oxiran-2-ylmethoxy)phenyl]acetamide
CID 141041988
(2S)-2-[(2,3,4,5,6-pentafluorophenoxy)methyl]oxirane
CID 101432995
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
dimethyl (E)-2-[3,5-difluoro-4-(oxan-4-ylmethoxy)anilino]but-2-enedioate
CID 168568632
N-[4-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]acetamide
CID 19762958
2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
CID 168521390
[3-methyl-2-(oxiran-2-ylmethoxy)phenyl] acetate
CID 131876567
2-[[4-[2-[3,5-diethyl-4-(oxiran-2-ylmethoxy)phenyl]ethyl]-2,6-diethylphenoxy]methyl]oxirane
CID 87442207
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787

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).