N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide

C16H16FNO3 — CID 78812799

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCc1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c17-13-5-3-4-12(10-13)8-9-18-16(20)11-21-15-7-2-1-6-14(15)19/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyHKBOBIGLAXQDHO-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide

N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide (PubChem CID 78812799) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
PubChem CID78812799
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
SMILESO=C(COc1ccccc1O)NCCc1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c17-13-5-3-4-12(10-13)8-9-18-16(20)11-21-15-7-2-1-6-14(15)19/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyHKBOBIGLAXQDHO-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide (CID 78812799) is N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide is O=C(COc1ccccc1O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
The InChIKey is HKBOBIGLAXQDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-5-3-4-12(10-13)8-9-18-16(20)11-21-15-7-2-1-6-14(15)19/h1-7,10,19H,8-9,11H2,(H,18,20).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide is sourced from PubChem (CID 78812799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).