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

C19H16N2O4 — CID 7492821

IUPAC[2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)13-6-8-14(9-7-13)21-18(23)11-25-19(24)16-10-20-17-5-3-2-4-15(16)17/h2-10,20H,11H2,1H3,(H,21,23)
InChIKeyCEIJFTSZBZSOET-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.17
Rot. Bonds5

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

[2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492821) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492821
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H16N2O4/c1-12(22)13-6-8-14(9-7-13)21-18(23)11-25-19(24)16-10-20-17-5-3-2-4-15(16)17/h2-10,20H,11H2,1H3,(H,21,23)
InChIKeyCEIJFTSZBZSOET-UHFFFAOYSA-N
XLogP3.17
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492821) is [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is CC(=O)c1ccc(NC(=O)COC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is CEIJFTSZBZSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)13-6-8-14(9-7-13)21-18(23)11-25-19(24)16-10-20-17-5-3-2-4-15(16)17/h2-10,20H,11H2,1H3,(H,21,23).
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7492821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).