[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

C19H18ClNO4 — CID 2604904

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C19H18ClNO4/c1-13-10-15(6-7-16(13)20)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyQWQZFZKHIYNLCA-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.16
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 2604904) has the molecular formula C19H18ClNO4 and a molecular weight of 359.81 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID2604904
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)OCC(=O)N2CCc3ccccc32)ccc1Cl
InChIInChI=1S/C19H18ClNO4/c1-13-10-15(6-7-16(13)20)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyQWQZFZKHIYNLCA-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 2604904) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)OCC(=O)N2CCc3ccccc32)ccc1Cl.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is QWQZFZKHIYNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-13-10-15(6-7-16(13)20)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-17(14)21/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 359.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 2604904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).