[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate

C17H13FN2O3 — CID 4792909

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-11-5-7-12(8-6-11)20-16(21)10-23-17(22)14-9-19-15-4-2-1-3-13(14)15/h1-9,19H,10H2,(H,20,21)
InChIKeyFDESBNCRNCCCNK-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.10
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 4792909) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID4792909
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O3/c18-11-5-7-12(8-6-11)20-16(21)10-23-17(22)14-9-19-15-4-2-1-3-13(14)15/h1-9,19H,10H2,(H,20,21)
InChIKeyFDESBNCRNCCCNK-UHFFFAOYSA-N
XLogP3.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate 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 [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 4792909) is [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is FDESBNCRNCCCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-11-5-7-12(8-6-11)20-16(21)10-23-17(22)14-9-19-15-4-2-1-3-13(14)15/h1-9,19H,10H2,(H,20,21).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 312.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 4792909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).