2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide

C13H16FNO3 — CID 115775828

IUPAC2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)COc1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-2-7-15(8-9-16)13(17)10-18-12-6-4-3-5-11(12)14/h2-6,16H,1,7-10H2
InChIKeySAEZMSSVITXVPC-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.21
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide

2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (PubChem CID 115775828) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
PubChem CID115775828
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)COc1ccccc1F
InChIInChI=1S/C13H16FNO3/c1-2-7-15(8-9-16)13(17)10-18-12-6-4-3-5-11(12)14/h2-6,16H,1,7-10H2
InChIKeySAEZMSSVITXVPC-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.21
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-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775553
N-(2-hydroxyethyl)-2-(2-methylphenoxy)-N-prop-2-enylacetamide
CID 113340576
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
N-(2-aminoethyl)-2-(2-fluorophenoxy)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884947
N,N-bis(2-hydroxyethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 60653391
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
N-(3-aminopropyl)-N-benzyl-2-(2-fluorophenoxy)acetamide;hydrochloride
CID 120649975

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (CID 115775828) is 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)COc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The InChIKey is SAEZMSSVITXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-2-7-15(8-9-16)13(17)10-18-12-6-4-3-5-11(12)14/h2-6,16H,1,7-10H2.
What are the key properties of 2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
2-(2-fluorophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide has a molecular weight of 253.27 g/mol, XLogP of 1.21, 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-(2-hydroxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 115775828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).