2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

C19H20FN3O2 — CID 39959751

IUPAC2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-23(2)17(14-7-5-8-16(20)10-14)12-22-19(24)13-25-18-9-4-3-6-15(18)11-21/h3-10,17H,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyJMLVOUOQROPLLL-QGZVFWFLSA-N
MW341.39 g/mol
LogP2.50
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide

2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 39959751) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
PubChem CID39959751
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
SMILESCN(C)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-23(2)17(14-7-5-8-16(20)10-14)12-22-19(24)13-25-18-9-4-3-6-15(18)11-21/h3-10,17H,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyJMLVOUOQROPLLL-QGZVFWFLSA-N
XLogP2.50
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 30525493
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-fluorophenoxy)acetamide
CID 41318277
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 51251237
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42893424
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 2998274

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide (CID 39959751) is 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is CN(C)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(F)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is JMLVOUOQROPLLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-23(2)17(14-7-5-8-16(20)10-14)12-22-19(24)13-25-18-9-4-3-6-15(18)11-21/h3-10,17H,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide?
2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 341.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 39959751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).