[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate

C24H15ClN2O3 — CID 5330557

IUPAC[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccccc3Cl)ccc2[nH]1
InChIInChI=1S/C24H15ClN2O3/c25-18-7-3-2-6-17(18)24(29)30-16-9-10-20-15(11-16)13-22(27-20)23(28)21-12-14-5-1-4-8-19(14)26-21/h1-13,26-27H
InChIKeyPELIICSLIWRORX-UHFFFAOYSA-N
MW414.85 g/mol
LogP5.75
Rot. Bonds4

About [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate

[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate (PubChem CID 5330557) has the molecular formula C24H15ClN2O3 and a molecular weight of 414.85 g/mol. Its IUPAC name is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate
PubChem CID5330557
Molecular FormulaC24H15ClN2O3
Molecular Weight414.85 g/mol
Exact Mass414.08
IUPAC Name[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccccc3Cl)ccc2[nH]1
InChIInChI=1S/C24H15ClN2O3/c25-18-7-3-2-6-17(18)24(29)30-16-9-10-20-15(11-16)13-22(27-20)23(28)21-12-14-5-1-4-8-19(14)26-21/h1-13,26-27H
InChIKeyPELIICSLIWRORX-UHFFFAOYSA-N
XLogP5.75
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate?
The IUPAC name of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate (CID 5330557) is [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate.
What is the SMILES notation for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate?
The canonical SMILES for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate is O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccccc3Cl)ccc2[nH]1.
What is the InChIKey of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate?
The InChIKey is PELIICSLIWRORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O3/c25-18-7-3-2-6-17(18)24(29)30-16-9-10-20-15(11-16)13-22(27-20)23(28)21-12-14-5-1-4-8-19(14)26-21/h1-13,26-27H.
What are the key properties of [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate?
[2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate has a molecular weight of 414.85 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indole-2-carbonyl)-1H-indol-5-yl] 2-chlorobenzoate is sourced from PubChem (CID 5330557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).