(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

C18H18FNO2 — CID 2373343

IUPAC(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-17-9-6-15(7-10-17)8-11-18(22)20(12-13-21)14-16-4-2-1-3-5-16/h1-11,21H,12-14H2/b11-8+
InChIKeyMEJBHZGTSJCWDG-DHZHZOJOSA-N
MW299.35 g/mol
LogP2.86
Rot. Bonds6

About (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide

(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 2373343) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID2373343
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H18FNO2/c19-17-9-6-15(7-10-17)8-11-18(22)20(12-13-21)14-16-4-2-1-3-5-16/h1-11,21H,12-14H2/b11-8+
InChIKeyMEJBHZGTSJCWDG-DHZHZOJOSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.86
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 (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 2373343) is (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)N(CCO)Cc1ccccc1.
What is the InChIKey of (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is MEJBHZGTSJCWDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-17-9-6-15(7-10-17)8-11-18(22)20(12-13-21)14-16-4-2-1-3-5-16/h1-11,21H,12-14H2/b11-8+.
What are the key properties of (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide?
(E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 299.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 2373343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).