[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

C23H18FNO3 — CID 2445406

IUPAC[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H18FNO3/c24-19-10-6-7-17(15-19)13-14-23(27)28-16-22(26)25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-15H,16H2,(H,25,26)/b14-13+
InChIKeyHLZJMEXSKSHIES-BUHFOSPRSA-N
MW375.40 g/mol
LogP4.69
Rot. Bonds6

About [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 2445406) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID2445406
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H18FNO3/c24-19-10-6-7-17(15-19)13-14-23(27)28-16-22(26)25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-15H,16H2,(H,25,26)/b14-13+
InChIKeyHLZJMEXSKSHIES-BUHFOSPRSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (CID 2445406) is [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is HLZJMEXSKSHIES-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H18FNO3/c24-19-10-6-7-17(15-19)13-14-23(27)28-16-22(26)25-21-12-5-4-11-20(21)18-8-2-1-3-9-18/h1-15H,16H2,(H,25,26)/b14-13+.
What are the key properties of [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 375.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 2445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).