[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

C19H16Cl3NO4 — CID 23960161

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl3NO4/c1-11-6-12-4-2-3-5-16(12)23(11)18(24)9-27-19(25)10-26-17-8-14(21)13(20)7-15(17)22/h2-5,7-8,11H,6,9-10H2,1H3
InChIKeyKQWOKJYTYGIYOC-UHFFFAOYSA-N
MW428.70 g/mol
LogP4.55
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 23960161) has the molecular formula C19H16Cl3NO4 and a molecular weight of 428.70 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID23960161
Molecular FormulaC19H16Cl3NO4
Molecular Weight428.70 g/mol
Exact Mass427.01
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C19H16Cl3NO4/c1-11-6-12-4-2-3-5-16(12)23(11)18(24)9-27-19(25)10-26-17-8-14(21)13(20)7-15(17)22/h2-5,7-8,11H,6,9-10H2,1H3
InChIKeyKQWOKJYTYGIYOC-UHFFFAOYSA-N
XLogP4.55
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2429810
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 2435156
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273989
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 23907050
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4790362
6-chloro-4-methyl-7-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]chromen-2-one
CID 7953989
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2399115
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 7170450
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 4241006

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (CID 23960161) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is CC1Cc2ccccc2N1C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is KQWOKJYTYGIYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl3NO4/c1-11-6-12-4-2-3-5-16(12)23(11)18(24)9-27-19(25)10-26-17-8-14(21)13(20)7-15(17)22/h2-5,7-8,11H,6,9-10H2,1H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 428.70 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 23960161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).