2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

C17H15F4NO3 — CID 90497968

IUPAC2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO3/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23)
InChIKeyWNEHIYWBELWQMU-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide

2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 90497968) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
PubChem CID90497968
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO3/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23)
InChIKeyWNEHIYWBELWQMU-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90498004
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376483
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984115
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
2-(4-fluorophenoxy)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712495
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
2-(4-fluorophenoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)acetamide
CID 109380791
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
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
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide (CID 90497968) is 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is O=C(COc1ccc(F)cc1)NCC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is WNEHIYWBELWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3/c18-13-6-8-14(9-7-13)25-10-15(23)22-11-16(24,17(19,20)21)12-4-2-1-3-5-12/h1-9,24H,10-11H2,(H,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide?
2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 357.30 g/mol, XLogP of 2.77, 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-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide is sourced from PubChem (CID 90497968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).