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

C19H18ClNO4 — CID 7779587

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18ClNO4/c1-13-10-15(20)6-7-17(13)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-16(14)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyZJSUNIBEDROZII-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.16
Rot. Bonds5

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

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 7779587) 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-2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID7779587
Molecular FormulaC19H18ClNO4
Molecular Weight359.81 g/mol
Exact Mass359.09
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H18ClNO4/c1-13-10-15(20)6-7-17(13)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-16(14)21/h2-7,10H,8-9,11-12H2,1H3
InChIKeyZJSUNIBEDROZII-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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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846175
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489293
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2,5-dichlorophenoxy)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 110615297
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903078

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate (CID 7779587) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate is Cc1cc(Cl)ccc1OCC(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is ZJSUNIBEDROZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4/c1-13-10-15(20)6-7-17(13)24-12-19(23)25-11-18(22)21-9-8-14-4-2-3-5-16(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-2-methylphenoxy)acetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chloro-2-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-2-methylphenoxy)acetate is sourced from PubChem (CID 7779587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).