ethyl 3-benzamido-1H-indole-2-carboxylate

C18H16N2O3 — CID 2157323

IUPACethyl 3-benzamido-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-23-18(22)16-15(13-10-6-7-11-14(13)19-16)20-17(21)12-8-4-3-5-9-12/h3-11,19H,2H2,1H3,(H,20,21)
InChIKeyDISSSLAVTXYERN-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.60
Rot. Bonds4

About ethyl 3-benzamido-1H-indole-2-carboxylate

ethyl 3-benzamido-1H-indole-2-carboxylate (PubChem CID 2157323) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is ethyl 3-benzamido-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzamido-1H-indole-2-carboxylate
PubChem CID2157323
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Nameethyl 3-benzamido-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-2-23-18(22)16-15(13-10-6-7-11-14(13)19-16)20-17(21)12-8-4-3-5-9-12/h3-11,19H,2H2,1H3,(H,20,21)
InChIKeyDISSSLAVTXYERN-UHFFFAOYSA-N
XLogP3.60
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamido-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-benzamido-1H-indole-2-carboxylate (CID 2157323) is ethyl 3-benzamido-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-benzamido-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-benzamido-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzamido-1H-indole-2-carboxylate?
The InChIKey is DISSSLAVTXYERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-18(22)16-15(13-10-6-7-11-14(13)19-16)20-17(21)12-8-4-3-5-9-12/h3-11,19H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 3-benzamido-1H-indole-2-carboxylate?
ethyl 3-benzamido-1H-indole-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamido-1H-indole-2-carboxylate is sourced from PubChem (CID 2157323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).