5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one

C14H19ClN2O3 — CID 43206912

IUPAC5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
SMILESCOCCOCCCNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3/c1-19-7-8-20-6-2-5-16-13-11-9-10(15)3-4-12(11)17-14(13)18/h3-4,9,13,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyXOTAYTMBRXTDNC-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.98
Rot. Bonds8

About 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one

5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one (PubChem CID 43206912) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
PubChem CID43206912
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one
SMILESCOCCOCCCNC1C(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C14H19ClN2O3/c1-19-7-8-20-6-2-5-16-13-11-9-10(15)3-4-12(11)17-14(13)18/h3-4,9,13,16H,2,5-8H2,1H3,(H,17,18)
InChIKeyXOTAYTMBRXTDNC-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one (CID 43206912) is 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one is COCCOCCCNC1C(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one?
The InChIKey is XOTAYTMBRXTDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-19-7-8-20-6-2-5-16-13-11-9-10(15)3-4-12(11)17-14(13)18/h3-4,9,13,16H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one?
5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one has a molecular weight of 298.77 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(2-methoxyethoxy)propylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43206912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).