ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate

C17H15ClN2O3 — CID 11530031

IUPACethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
InChIInChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3
InChIKeyUWOMAHASUCHMCR-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.45
Rot. Bonds4

About ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate

ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate (PubChem CID 11530031) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate
PubChem CID11530031
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Nameethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
InChIInChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3
InChIKeyUWOMAHASUCHMCR-UHFFFAOYSA-N
XLogP4.45
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate (CID 11530031) is ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate is CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12.
What is the InChIKey of ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate?
The InChIKey is UWOMAHASUCHMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3.
What are the key properties of ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate?
ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate has a molecular weight of 330.77 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloroanilino)-5-hydroxy-1H-indole-3-carboxylate is sourced from PubChem (CID 11530031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).