3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide

C11H14FNO3 — CID 64780505

IUPAC3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyJUBQWNCRUULZMV-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.90
Rot. Bonds5

About 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide

3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide (PubChem CID 64780505) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
PubChem CID64780505
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide
SMILESCCOCCC(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyJUBQWNCRUULZMV-UHFFFAOYSA-N
XLogP1.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
CID 115661464
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-(3-fluoro-4-hydroxyphenyl)-3-(propan-2-ylamino)propanamide
CID 64782585
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
3-(3-fluoro-4-hydroxyanilino)-3-oxopropanoic acid
CID 64782793
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide?
The IUPAC name of 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide (CID 64780505) is 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide is CCOCCC(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide?
The InChIKey is JUBQWNCRUULZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-16-6-5-11(15)13-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide?
3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide has a molecular weight of 227.23 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-fluoro-4-hydroxyphenyl)propanamide is sourced from PubChem (CID 64780505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).