2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide

C18H20FNO3 — CID 111566012

IUPAC2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C18H20FNO3/c1-12-6-5-7-13(2)18(12)23-11-17(22)20-10-16(21)14-8-3-4-9-15(14)19/h3-9,16,21H,10-11H2,1-2H3,(H,20,22)
InChIKeySEBOYRQOCHLZNU-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.67
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide

2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 111566012) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID111566012
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C18H20FNO3/c1-12-6-5-7-13(2)18(12)23-11-17(22)20-10-16(21)14-8-3-4-9-15(14)19/h3-9,16,21H,10-11H2,1-2H3,(H,20,22)
InChIKeySEBOYRQOCHLZNU-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
2-(2,6-dimethylphenoxy)-N-(2-ethylbutyl)acetamide
CID 115612647
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 30521032
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 119529545
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666
2-(2,6-dimethylphenoxy)-N-[1,1,2,2-tetradeuterio-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 171381792
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide (CID 111566012) is 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide is Cc1cccc(C)c1OCC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is SEBOYRQOCHLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-6-5-7-13(2)18(12)23-11-17(22)20-10-16(21)14-8-3-4-9-15(14)19/h3-9,16,21H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 111566012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).