2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C17H15FN2O2 — CID 2527758

IUPAC2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C17H15FN2O2/c1-20(11-14-4-2-3-5-16(14)18)17(21)12-22-15-8-6-13(10-19)7-9-15/h2-9H,11-12H2,1H3
InChIKeyHNDFMJIOBFXVLD-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 2527758) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID2527758
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C17H15FN2O2/c1-20(11-14-4-2-3-5-16(14)18)17(21)12-22-15-8-6-13(10-19)7-9-15/h2-9H,11-12H2,1H3
InChIKeyHNDFMJIOBFXVLD-UHFFFAOYSA-N
XLogP2.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 78814812
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
2-(3-fluorophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 78768927
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
N-[(2-fluorophenyl)methyl]-N-methyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 112789802
4-[3-[(2-fluorophenyl)methyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 51160367
4-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]benzonitrile
CID 62035950
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
2-[4-(4-cyanophenyl)phenoxy]-N-[(2-fluorophenyl)methyl]acetamide
CID 34141400
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 9107496

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 2527758) is 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)COc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is HNDFMJIOBFXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20(11-14-4-2-3-5-16(14)18)17(21)12-22-15-8-6-13(10-19)7-9-15/h2-9H,11-12H2,1H3.
What are the key properties of 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 298.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 2527758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).