5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one

C15H22ClN3O — CID 79349532

IUPAC5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CC)C(C)C)c(Cl)cc21
InChIInChI=1S/C15H22ClN3O/c1-5-17-14-10-7-11(16)13(19(6-2)9(3)4)8-12(10)18-15(14)20/h7-9,14,17H,5-6H2,1-4H3,(H,18,20)
InChIKeyKSYBZTZASBWQGX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.18
Rot. Bonds5

About 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 79349532) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID79349532
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N(CC)C(C)C)c(Cl)cc21
InChIInChI=1S/C15H22ClN3O/c1-5-17-14-10-7-11(16)13(19(6-2)9(3)4)8-12(10)18-15(14)20/h7-9,14,17H,5-6H2,1-4H3,(H,18,20)
InChIKeyKSYBZTZASBWQGX-UHFFFAOYSA-N
XLogP3.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (CID 79349532) is 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N(CC)C(C)C)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is KSYBZTZASBWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-5-17-14-10-7-11(16)13(19(6-2)9(3)4)8-12(10)18-15(14)20/h7-9,14,17H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 295.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).