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

C17H13ClN2O4 — CID 46459679

IUPAC[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(O)cc1
InChIInChI=1S/C17H13ClN2O4/c18-15-12-3-1-2-4-13(12)20-16(15)17(23)24-9-14(22)19-10-5-7-11(21)8-6-10/h1-8,20-21H,9H2,(H,19,22)
InChIKeyWODSANIWSFJSGZ-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.32
Rot. Bonds4

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

[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 46459679) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID46459679
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
SMILESO=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(O)cc1
InChIInChI=1S/C17H13ClN2O4/c18-15-12-3-1-2-4-13(12)20-16(15)17(23)24-9-14(22)19-10-5-7-11(21)8-6-10/h1-8,20-21H,9H2,(H,19,22)
InChIKeyWODSANIWSFJSGZ-UHFFFAOYSA-N
XLogP3.32
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704140
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704162
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703991
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459618
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703821
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703958
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704160
(4-fluorophenyl)methyl 3-chloro-1H-indole-2-carboxylate
CID 46459571
[2-[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459624
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573552
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-hydroxybenzoate
CID 2387838
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate (CID 46459679) is [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is O=C(COC(=O)c1[nH]c2ccccc2c1Cl)Nc1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is WODSANIWSFJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c18-15-12-3-1-2-4-13(12)20-16(15)17(23)24-9-14(22)19-10-5-7-11(21)8-6-10/h1-8,20-21H,9H2,(H,19,22).
What are the key properties of [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate?
[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 344.75 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 46459679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).