3-(3-ethoxy-5-fluorophenyl)prop-2-enamide

C11H12FNO2 — CID 169482023

IUPAC3-(3-ethoxy-5-fluorophenyl)prop-2-enamide
SMILESCCOc1cc(F)cc(C=CC(N)=O)c1
InChIInChI=1S/C11H12FNO2/c1-2-15-10-6-8(3-4-11(13)14)5-9(12)7-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyVYDURYLEUQXZDX-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.72
Rot. Bonds4

About 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide

3-(3-ethoxy-5-fluorophenyl)prop-2-enamide (PubChem CID 169482023) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-ethoxy-5-fluorophenyl)prop-2-enamide
PubChem CID169482023
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-(3-ethoxy-5-fluorophenyl)prop-2-enamide
SMILESCCOc1cc(F)cc(C=CC(N)=O)c1
InChIInChI=1S/C11H12FNO2/c1-2-15-10-6-8(3-4-11(13)14)5-9(12)7-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyVYDURYLEUQXZDX-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide?
The IUPAC name of 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide (CID 169482023) is 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide?
The canonical SMILES for 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide is CCOc1cc(F)cc(C=CC(N)=O)c1.
What is the InChIKey of 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide?
The InChIKey is VYDURYLEUQXZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-15-10-6-8(3-4-11(13)14)5-9(12)7-10/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide?
3-(3-ethoxy-5-fluorophenyl)prop-2-enamide has a molecular weight of 209.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-5-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 169482023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).