N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

C19H19F2NO2S2 — CID 24545612

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccccc1C1SCCS1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2NO2S2/c1-12(13-6-7-15(20)16(21)10-13)22-18(23)11-24-17-5-3-2-4-14(17)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23)
InChIKeyRELJFVNLRMNHRF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.70
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 24545612) has the molecular formula C19H19F2NO2S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
PubChem CID24545612
Molecular FormulaC19H19F2NO2S2
Molecular Weight395.50 g/mol
Exact Mass395.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESCC(NC(=O)COc1ccccc1C1SCCS1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H19F2NO2S2/c1-12(13-6-7-15(20)16(21)10-13)22-18(23)11-24-17-5-3-2-4-14(17)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23)
InChIKeyRELJFVNLRMNHRF-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
2-[2-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263825
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8795085
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 27035206
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 27035207
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 18133884
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 9428695
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-fluorophenoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395568

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 24545612) is N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is CC(NC(=O)COc1ccccc1C1SCCS1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The InChIKey is RELJFVNLRMNHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2S2/c1-12(13-6-7-15(20)16(21)10-13)22-18(23)11-24-17-5-3-2-4-14(17)19-25-8-9-26-19/h2-7,10,12,19H,8-9,11H2,1H3,(H,22,23).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 24545612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).