N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide

C17H15FN2O2 — CID 39858491

IUPACN-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-20(11-14-4-2-13(10-19)3-5-14)17(21)12-22-16-8-6-15(18)7-9-16/h2-9H,11-12H2,1H3
InChIKeyOFMRVOIRWPXWNQ-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.73
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide

N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide (PubChem CID 39858491) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
PubChem CID39858491
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-20(11-14-4-2-13(10-19)3-5-14)17(21)12-22-16-8-6-15(18)7-9-16/h2-9H,11-12H2,1H3
InChIKeyOFMRVOIRWPXWNQ-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

2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
2-(4-cyanophenoxy)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 2527758
N-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
N-[(4-cyanophenyl)methyl]-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655879
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-(4-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 8864519

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide (CID 39858491) is N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide is CN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The InChIKey is OFMRVOIRWPXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-20(11-14-4-2-13(10-19)3-5-14)17(21)12-22-16-8-6-15(18)7-9-16/h2-9H,11-12H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-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 N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 39858491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).