[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate

C18H15ClN2O3 — CID 141490309

IUPAC[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate
SMILESCC(=O)On1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H15ClN2O3/c1-12(22)24-21-11-13(14-6-2-5-9-17(14)21)10-18(23)20-16-8-4-3-7-15(16)19/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyPFRXFPATMIQQRU-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.45
Rot. Bonds4

About [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate

[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate (PubChem CID 141490309) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate.

Molecular Properties

Compound Name[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate
PubChem CID141490309
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate
SMILESCC(=O)On1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21
InChIInChI=1S/C18H15ClN2O3/c1-12(22)24-21-11-13(14-6-2-5-9-17(14)21)10-18(23)20-16-8-4-3-7-15(16)19/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyPFRXFPATMIQQRU-UHFFFAOYSA-N
XLogP3.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate?
The IUPAC name of [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate (CID 141490309) is [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate.
What is the SMILES notation for [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate?
The canonical SMILES for [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate is CC(=O)On1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21.
What is the InChIKey of [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate?
The InChIKey is PFRXFPATMIQQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-12(22)24-21-11-13(14-6-2-5-9-17(14)21)10-18(23)20-16-8-4-3-7-15(16)19/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate?
[3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate has a molecular weight of 342.78 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-chloroanilino)-2-oxoethyl]indol-1-yl] acetate is sourced from PubChem (CID 141490309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).