2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide

C15H17FN2O2 — CID 90500606

IUPAC2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(COc1ccccc1F)NCCCn1cccc1
InChIInChI=1S/C15H17FN2O2/c16-13-6-1-2-7-14(13)20-12-15(19)17-8-5-11-18-9-3-4-10-18/h1-4,6-7,9-10H,5,8,11-12H2,(H,17,19)
InChIKeySOIUEGHGDHXKCH-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.21
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide

2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide (PubChem CID 90500606) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
PubChem CID90500606
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(COc1ccccc1F)NCCCn1cccc1
InChIInChI=1S/C15H17FN2O2/c16-13-6-1-2-7-14(13)20-12-15(19)17-8-5-11-18-9-3-4-10-18/h1-4,6-7,9-10H,5,8,11-12H2,(H,17,19)
InChIKeySOIUEGHGDHXKCH-UHFFFAOYSA-N
XLogP2.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
CID 38419839
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
CID 2330207
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
CID 86266717
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42175267

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide (CID 90500606) is 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide is O=C(COc1ccccc1F)NCCCn1cccc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is SOIUEGHGDHXKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-6-1-2-7-14(13)20-12-15(19)17-8-5-11-18-9-3-4-10-18/h1-4,6-7,9-10H,5,8,11-12H2,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide?
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 276.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 90500606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).