(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C11H11BrFNO2 — CID 43388893

IUPAC(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Br)ccc1F)NCCO
InChIInChI=1S/C11H11BrFNO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h1-4,7,15H,5-6H2,(H,14,16)/b4-1+
InChIKeyRXTNZNORUBTZFR-DAFODLJHSA-N
MW288.12 g/mol
LogP1.71
Rot. Bonds4

About (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 43388893) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID43388893
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1cc(Br)ccc1F)NCCO
InChIInChI=1S/C11H11BrFNO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h1-4,7,15H,5-6H2,(H,14,16)/b4-1+
InChIKeyRXTNZNORUBTZFR-DAFODLJHSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 51.71
H-Bond Donors ≤ 52
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 (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 43388893) is (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1cc(Br)ccc1F)NCCO.
What is the InChIKey of (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is RXTNZNORUBTZFR-DAFODLJHSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-9-2-3-10(13)8(7-9)1-4-11(16)14-5-6-15/h1-4,7,15H,5-6H2,(H,14,16)/b4-1+.
What are the key properties of (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 288.12 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 43388893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).