2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide

C14H15FN2O3 — CID 146316634

IUPAC2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(COc1ccc(O)c(F)c1)NCCn1cccc1
InChIInChI=1S/C14H15FN2O3/c15-12-9-11(3-4-13(12)18)20-10-14(19)16-5-8-17-6-1-2-7-17/h1-4,6-7,9,18H,5,8,10H2,(H,16,19)
InChIKeyZWQGKSUNPWNJOV-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.53
Rot. Bonds6

About 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide

2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 146316634) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID146316634
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(COc1ccc(O)c(F)c1)NCCn1cccc1
InChIInChI=1S/C14H15FN2O3/c15-12-9-11(3-4-13(12)18)20-10-14(19)16-5-8-17-6-1-2-7-17/h1-4,6-7,9,18H,5,8,10H2,(H,16,19)
InChIKeyZWQGKSUNPWNJOV-UHFFFAOYSA-N
XLogP1.53
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-pyrrol-1-ylethyl)acetamide
CID 122169990
N-(3-fluoro-4-hydroxyphenyl)-2-phenoxyacetamide
CID 64780486
2-(4-bromo-3-fluorophenoxy)-N-butylacetamide
CID 63998462
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
CID 138632283
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
2-propoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725449

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide (CID 146316634) is 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide is O=C(COc1ccc(O)c(F)c1)NCCn1cccc1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is ZWQGKSUNPWNJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-12-9-11(3-4-13(12)18)20-10-14(19)16-5-8-17-6-1-2-7-17/h1-4,6-7,9,18H,5,8,10H2,(H,16,19).
What are the key properties of 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide?
2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenoxy)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 146316634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).