2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide

C15H13F2NO2 — CID 72885050

IUPAC2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO2/c1-18-15(19)9-20-14-4-2-10(3-5-14)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVSRLRGRYOSRQHU-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide

2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide (PubChem CID 72885050) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
PubChem CID72885050
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(-c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H13F2NO2/c1-18-15(19)9-20-14-4-2-10(3-5-14)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyVSRLRGRYOSRQHU-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-[(6-fluoro-3-pyridinyl)oxy]-N-methylacetamide
CID 115371615
1-[(3,5-difluorophenyl)methyl]-1-[2-[4-(4-hydroxyphenyl)phenoxy]ethyl]-3-methylurea
CID 54016995
(2S)-2-[[2-(4-fluorophenoxy)acetyl]amino]propanoic acid
CID 92918438
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
2-[4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]phenoxy]-N-methylacetamide
CID 70706605
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]-N-methylacetamide
CID 8830407
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 7848470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide (CID 72885050) is 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(-c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide?
The InChIKey is VSRLRGRYOSRQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-18-15(19)9-20-14-4-2-10(3-5-14)11-6-12(16)8-13(17)7-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide?
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide has a molecular weight of 277.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 72885050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).