2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide

C18H20FNO3 — CID 110782859

IUPAC2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(2)18(22-3)14(9-12)10-20-17(21)11-23-16-6-4-15(19)5-7-16/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyVTKQWYYBNSGIJC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide

2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide (PubChem CID 110782859) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
PubChem CID110782859
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
SMILESCOc1c(C)cc(C)cc1CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-12-8-13(2)18(22-3)14(9-12)10-20-17(21)11-23-16-6-4-15(19)5-7-16/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyVTKQWYYBNSGIJC-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
2-(4-fluorophenoxy)-N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]acetamide
CID 110783504
2-(4-methoxyphenoxy)-N'-[2-(2,4,6-trimethylphenoxy)acetyl]acetohydrazide
CID 2479123
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 121137422
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
1-[(4-fluorophenyl)methyl]-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]thiourea
CID 8942130
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide (CID 110782859) is 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide is COc1c(C)cc(C)cc1CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide?
The InChIKey is VTKQWYYBNSGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-12-8-13(2)18(22-3)14(9-12)10-20-17(21)11-23-16-6-4-15(19)5-7-16/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide?
2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide is sourced from PubChem (CID 110782859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).