2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

C13H14FNO3 — CID 65434476

IUPAC2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C13H14FNO3/c1-2-18-9-13(17)15-11-6-5-10(4-3-7-16)12(14)8-11/h5-6,8,16H,2,7,9H2,1H3,(H,15,17)
InChIKeyVOECYIINWSAHQT-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.14
Rot. Bonds4

About 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide

2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (PubChem CID 65434476) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
PubChem CID65434476
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
SMILESCCOCC(=O)Nc1ccc(C#CCO)c(F)c1
InChIInChI=1S/C13H14FNO3/c1-2-18-9-13(17)15-11-6-5-10(4-3-7-16)12(14)8-11/h5-6,8,16H,2,7,9H2,1H3,(H,15,17)
InChIKeyVOECYIINWSAHQT-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide (CID 65434476) is 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is CCOCC(=O)Nc1ccc(C#CCO)c(F)c1.
What is the InChIKey of 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
The InChIKey is VOECYIINWSAHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-2-18-9-13(17)15-11-6-5-10(4-3-7-16)12(14)8-11/h5-6,8,16H,2,7,9H2,1H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide?
2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide has a molecular weight of 251.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 65434476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).