2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide

C17H18FNO3 — CID 95367989

IUPAC2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
SMILESC[C@@](O)(CNC(=O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-17(21,13-5-3-2-4-6-13)12-19-16(20)11-22-15-9-7-14(18)8-10-15/h2-10,21H,11-12H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyIZYIUBQCAJIHEL-QGZVFWFLSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide

2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide (PubChem CID 95367989) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
PubChem CID95367989
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
SMILESC[C@@](O)(CNC(=O)COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-17(21,13-5-3-2-4-6-13)12-19-16(20)11-22-15-9-7-14(18)8-10-15/h2-10,21H,11-12H2,1H3,(H,19,20)/t17-/m1/s1
InChIKeyIZYIUBQCAJIHEL-QGZVFWFLSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
2-(4-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111479721
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700980
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-(2-tert-butylphenyl)-2-(4-fluorophenoxy)acetamide
CID 40597489
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide (CID 95367989) is 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide is C[C@@](O)(CNC(=O)COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide?
The InChIKey is IZYIUBQCAJIHEL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-17(21,13-5-3-2-4-6-13)12-19-16(20)11-22-15-9-7-14(18)8-10-15/h2-10,21H,11-12H2,1H3,(H,19,20)/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide?
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide is sourced from PubChem (CID 95367989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).