2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C18H20FNO2 — CID 112792570

IUPAC2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1cccc(C)c1OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13-5-4-6-14(2)18(13)22-12-17(21)20(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3
InChIKeyIGMOIXWXWLQFHY-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.48
Rot. Bonds5

About 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 112792570) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID112792570
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCc1cccc(C)c1OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FNO2/c1-13-5-4-6-14(2)18(13)22-12-17(21)20(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3
InChIKeyIGMOIXWXWLQFHY-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
N-benzyl-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977936
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(2-chloro-5-methylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112775473
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
methyl 3-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]propanoate
CID 61031441

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 112792570) is 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is Cc1cccc(C)c1OCC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is IGMOIXWXWLQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-5-4-6-14(2)18(13)22-12-17(21)20(3)11-15-7-9-16(19)10-8-15/h4-10H,11-12H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 301.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).