3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

C14H18FNO3 — CID 115775553

IUPAC3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)CCOc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-2-8-16(9-10-17)14(18)7-11-19-13-6-4-3-5-12(13)15/h2-6,17H,1,7-11H2
InChIKeyNNEDHNWGKATKOK-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.60
Rot. Bonds8

About 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide

3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (PubChem CID 115775553) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
PubChem CID115775553
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)CCOc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-2-8-16(9-10-17)14(18)7-11-19-13-6-4-3-5-12(13)15/h2-6,17H,1,7-11H2
InChIKeyNNEDHNWGKATKOK-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenoxy)-1-thiomorpholin-4-ylpropan-1-one
CID 2739507
Acetamide, N-ethyl-N-(3-phenoxypropyl)-
CID 48101
2-(4-Fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
CID 806235
2-(4-Fluorophenoxy)-1-morpholin-4-ylethanone
CID 892964
3-(4-Methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 977912
2-(2-Fluorophenoxy)-1-morpholinoethanone
CID 2175683
N-Ethyl-N-(2-phenoxyethyl)-acetamide
CID 24049
Acetamide, N,N-bis(3-phenoxypropyl)-
CID 3050600
Propionamide, 3-(diethylamino)-N-methyl-N-(2-phenoxyethyl)-, hydrochloride
CID 3060524
1-(2-Hydroxy-3-phenoxypropyl)pyrrolidin-2-one
CID 15578557
3-(2-Fluorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39366029
N-(2-cyanoethyl)-3-(3-fluorophenoxy)-N-methylpropanamide
CID 43243786

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide (CID 115775553) is 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is C=CCN(CCO)C(=O)CCOc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
The InChIKey is NNEDHNWGKATKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-8-16(9-10-17)14(18)7-11-19-13-6-4-3-5-12(13)15/h2-6,17H,1,7-11H2.
What are the key properties of 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide?
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide has a molecular weight of 267.30 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 115775553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).