ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate

C19H16FNO3 — CID 58101346

IUPACethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(=O)N(Cc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-17(22)11-15-14-9-6-10-16(20)18(14)21(19(15)23)12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b15-11+
InChIKeyPHMHFPVXCVEJSR-RVDMUPIBSA-N
MW325.34 g/mol
LogP3.32
Rot. Bonds4

About ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate

ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate (PubChem CID 58101346) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate
PubChem CID58101346
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Nameethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate
SMILESCCOC(=O)/C=C1/C(=O)N(Cc2ccccc2)c2c(F)cccc21
InChIInChI=1S/C19H16FNO3/c1-2-24-17(22)11-15-14-9-6-10-16(20)18(14)21(19(15)23)12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b15-11+
InChIKeyPHMHFPVXCVEJSR-RVDMUPIBSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate (CID 58101346) is ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate is CCOC(=O)/C=C1/C(=O)N(Cc2ccccc2)c2c(F)cccc21.
What is the InChIKey of ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate?
The InChIKey is PHMHFPVXCVEJSR-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-2-24-17(22)11-15-14-9-6-10-16(20)18(14)21(19(15)23)12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b15-11+.
What are the key properties of ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate?
ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate has a molecular weight of 325.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(1-benzyl-7-fluoro-2-oxoindol-3-ylidene)acetate is sourced from PubChem (CID 58101346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).