2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H17FN2O3 — CID 62032180

IUPAC2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COc1cccc(F)c1C#N)C(C)C
InChIInChI=1S/C15H17FN2O3/c1-9(2)15(10(3)19)18-14(20)8-21-13-6-4-5-12(16)11(13)7-17/h4-6,9,15H,8H2,1-3H3,(H,18,20)
InChIKeyUVTZWOXOHNLJJR-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.81
Rot. Bonds6

About 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 62032180) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID62032180
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COc1cccc(F)c1C#N)C(C)C
InChIInChI=1S/C15H17FN2O3/c1-9(2)15(10(3)19)18-14(20)8-21-13-6-4-5-12(16)11(13)7-17/h4-6,9,15H,8H2,1-3H3,(H,18,20)
InChIKeyUVTZWOXOHNLJJR-UHFFFAOYSA-N
XLogP1.81
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-3-fluorophenoxy)acetohydrazide
CID 63569107
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
2-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]benzamide
CID 43426354
2-(5-bromo-2,3-difluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 107100430
2-[(2-fluorophenyl)methoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 63935331
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
CID 62034545
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 62032180) is 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)COc1cccc(F)c1C#N)C(C)C.
What is the InChIKey of 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is UVTZWOXOHNLJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-9(2)15(10(3)19)18-14(20)8-21-13-6-4-5-12(16)11(13)7-17/h4-6,9,15H,8H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 292.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 62032180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).