6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one

C16H19Cl2NO2 — CID 103165684

IUPAC6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
SMILESCCOC1CC(CC(Cl)c2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C16H19Cl2NO2/c1-2-21-11-3-9(4-11)5-13(17)12-6-10-7-16(20)19-15(10)8-14(12)18/h6,8-9,11,13H,2-5,7H2,1H3,(H,19,20)
InChIKeyIBLMCUPWUWGSIJ-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.32
Rot. Bonds5

About 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one

6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one (PubChem CID 103165684) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
PubChem CID103165684
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
SMILESCCOC1CC(CC(Cl)c2cc3c(cc2Cl)NC(=O)C3)C1
InChIInChI=1S/C16H19Cl2NO2/c1-2-21-11-3-9(4-11)5-13(17)12-6-10-7-16(20)19-15(10)8-14(12)18/h6,8-9,11,13H,2-5,7H2,1H3,(H,19,20)
InChIKeyIBLMCUPWUWGSIJ-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one (CID 103165684) is 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one is CCOC1CC(CC(Cl)c2cc3c(cc2Cl)NC(=O)C3)C1.
What is the InChIKey of 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is IBLMCUPWUWGSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-2-21-11-3-9(4-11)5-13(17)12-6-10-7-16(20)19-15(10)8-14(12)18/h6,8-9,11,13H,2-5,7H2,1H3,(H,19,20).
What are the key properties of 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one?
6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 328.24 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[1-chloro-2-(3-ethoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 103165684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).