N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

C17H17F2NO3 — CID 51101643

IUPACN-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2NO3/c1-22-15-4-2-3-5-16(15)23-11-17(21)20-7-6-12-8-13(18)10-14(19)9-12/h2-5,8-10H,6-7,11H2,1H3,(H,20,21)
InChIKeyLZRZFUKUHMSOBN-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 51101643) has the molecular formula C17H17F2NO3 and a molecular weight of 321.32 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID51101643
Molecular FormulaC17H17F2NO3
Molecular Weight321.32 g/mol
Exact Mass321.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C17H17F2NO3/c1-22-15-4-2-3-5-16(15)23-11-17(21)20-7-6-12-8-13(18)10-14(19)9-12/h2-5,8-10H,6-7,11H2,1H3,(H,20,21)
InChIKeyLZRZFUKUHMSOBN-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 51101643) is N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is LZRZFUKUHMSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3/c1-22-15-4-2-3-5-16(15)23-11-17(21)20-7-6-12-8-13(18)10-14(19)9-12/h2-5,8-10H,6-7,11H2,1H3,(H,20,21).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 321.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 51101643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).