2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C17H15FN2O2 — CID 2562613

IUPAC2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-16-5-3-2-4-14(16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeySGGFASBZCBCLDZ-GFCCVEGCSA-N
MW298.32 g/mol
LogP2.95
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2562613) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID2562613
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-16-5-3-2-4-14(16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeySGGFASBZCBCLDZ-GFCCVEGCSA-N
XLogP2.95
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 8500487
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
2-(2-bromophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42980776
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 42976197
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(2-cyanophenoxy)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115636054
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275053
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 60592703

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 2562613) is 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(F)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SGGFASBZCBCLDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12(13-6-8-15(18)9-7-13)20-17(21)11-22-16-5-3-2-4-14(16)10-19/h2-9,12H,11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2562613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).