2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide

C22H22FNO4 — CID 42904214

IUPAC2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1c(CO)cc(F)cc1CO)c1ccc2ccccc2c1
InChIInChI=1S/C22H22FNO4/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)24-21(27)13-28-22-18(11-25)9-20(23)10-19(22)12-26/h2-10,14,25-26H,11-13H2,1H3,(H,24,27)
InChIKeyDEGUVKQTUANRMF-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.22
Rot. Bonds7

About 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide

2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide (PubChem CID 42904214) has the molecular formula C22H22FNO4 and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide
PubChem CID42904214
Molecular FormulaC22H22FNO4
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide
SMILESCC(NC(=O)COc1c(CO)cc(F)cc1CO)c1ccc2ccccc2c1
InChIInChI=1S/C22H22FNO4/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)24-21(27)13-28-22-18(11-25)9-20(23)10-19(22)12-26/h2-10,14,25-26H,11-13H2,1H3,(H,24,27)
InChIKeyDEGUVKQTUANRMF-UHFFFAOYSA-N
XLogP3.22
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide (CID 42904214) is 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide is CC(NC(=O)COc1c(CO)cc(F)cc1CO)c1ccc2ccccc2c1.
What is the InChIKey of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide?
The InChIKey is DEGUVKQTUANRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO4/c1-14(16-7-6-15-4-2-3-5-17(15)8-16)24-21(27)13-28-22-18(11-25)9-20(23)10-19(22)12-26/h2-10,14,25-26H,11-13H2,1H3,(H,24,27).
What are the key properties of 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide?
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide has a molecular weight of 383.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-(1-naphthalen-2-ylethyl)acetamide is sourced from PubChem (CID 42904214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).