[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

C19H16FNO3 — CID 6288939

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H16FNO3/c20-16-6-3-4-14(12-16)8-9-19(23)24-13-18(22)21-11-10-15-5-1-2-7-17(15)21/h1-9,12H,10-11,13H2/b9-8+
InChIKeyRVYUREGHWOMPEF-CMDGGOBGSA-N
MW325.34 g/mol
LogP2.97
Rot. Bonds4

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 6288939) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
PubChem CID6288939
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H16FNO3/c20-16-6-3-4-14(12-16)8-9-19(23)24-13-18(22)21-11-10-15-5-1-2-7-17(15)21/h1-9,12H,10-11,13H2/b9-8+
InChIKeyRVYUREGHWOMPEF-CMDGGOBGSA-N
XLogP2.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
(E)-3-(3-fluorophenyl)-1-(indolin-1-yl)prop-2-en-1-one
CID 713703
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
4-(2,3-Dihydro-indol-1-yl)-4-oxo-but-2-enoic acid ethyl ester
CID 2139727
2-Ethoxy-1-(indolin-1-yl)ethanone
CID 2163142
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2437214
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2570844
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-4-oxo-4-(4-phenylpiperazin-1-yl)but-2-enoate
CID 6157661
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
CID 7178592
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 24980511
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2439157
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2445406

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate (CID 6288939) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is O=C(/C=C/c1cccc(F)c1)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is RVYUREGHWOMPEF-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16FNO3/c20-16-6-3-4-14(12-16)8-9-19(23)24-13-18(22)21-11-10-15-5-1-2-7-17(15)21/h1-9,12H,10-11,13H2/b9-8+.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 325.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 6288939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).