ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate

C19H16ClNO3 — CID 58567931

IUPACethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-2-24-19(23)18-17(14-9-8-13(20)11-15(14)21-18)16(22)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3
InChIKeyZQNBHYDBPAABPJ-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.42
Rot. Bonds5

About ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate

ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate (PubChem CID 58567931) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate
PubChem CID58567931
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Nameethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1
InChIInChI=1S/C19H16ClNO3/c1-2-24-19(23)18-17(14-9-8-13(20)11-15(14)21-18)16(22)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3
InChIKeyZQNBHYDBPAABPJ-UHFFFAOYSA-N
XLogP4.42
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-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 ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate (CID 58567931) is ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1.
What is the InChIKey of ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate?
The InChIKey is ZQNBHYDBPAABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-2-24-19(23)18-17(14-9-8-13(20)11-15(14)21-18)16(22)10-12-6-4-3-5-7-12/h3-9,11,21H,2,10H2,1H3.
What are the key properties of ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate?
ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-(2-phenylacetyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 58567931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).