2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide

C19H22FNO3 — CID 110279770

IUPAC2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(C(O)CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-13(2)14-3-5-15(6-4-14)18(22)11-21-19(23)12-24-17-9-7-16(20)8-10-17/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyTVNCLGOCFFTEOT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.18
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 110279770) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID110279770
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(C)c1ccc(C(O)CNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO3/c1-13(2)14-3-5-15(6-4-14)18(22)11-21-19(23)12-24-17-9-7-16(20)8-10-17/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23)
InChIKeyTVNCLGOCFFTEOT-UHFFFAOYSA-N
XLogP3.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 110889182
N-(2-hydroxy-2-thiophen-2-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 71782438
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582198
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90622980
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122262849
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-fluorophenoxy)acetamide
CID 110663511
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 34992328

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 110279770) is 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(C)c1ccc(C(O)CNC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is TVNCLGOCFFTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(2)14-3-5-15(6-4-14)18(22)11-21-19(23)12-24-17-9-7-16(20)8-10-17/h3-10,13,18,22H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 331.39 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 110279770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).