5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one

C15H21ClN2O2 — CID 102982355

IUPAC5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one
SMILESCCCC(C)Oc1cc2c(cc1Cl)C(NCC)C(=O)N2
InChIInChI=1S/C15H21ClN2O2/c1-4-6-9(3)20-13-8-12-10(7-11(13)16)14(17-5-2)15(19)18-12/h7-9,14,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyBYLITGQAQASMQF-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.51
Rot. Bonds6

About 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one

5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one (PubChem CID 102982355) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one
PubChem CID102982355
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one
SMILESCCCC(C)Oc1cc2c(cc1Cl)C(NCC)C(=O)N2
InChIInChI=1S/C15H21ClN2O2/c1-4-6-9(3)20-13-8-12-10(7-11(13)16)14(17-5-2)15(19)18-12/h7-9,14,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyBYLITGQAQASMQF-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79349040
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
CID 79349036
5-chloro-3-(ethylamino)-6-methylsulfanyl-1,3-dihydroindol-2-one
CID 79336270
6-butylsulfanyl-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79336338
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 82005920
3-[[5-chloro-3-(ethylamino)-2-oxo-1,3-dihydroindol-6-yl]-methylamino]butanenitrile
CID 79343881
5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106202211
3-amino-5-chloro-6-(2-methylpentoxy)-1,3-dihydroindol-2-one
CID 103284010
5-chloro-3-(ethylamino)-6-(oxetan-3-ylsulfanyl)-1,3-dihydroindol-2-one
CID 79336412
3-(ethylamino)-5,6-difluoro-1,3-dihydroindol-2-one
CID 82235271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one (CID 102982355) is 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one is CCCC(C)Oc1cc2c(cc1Cl)C(NCC)C(=O)N2.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one?
The InChIKey is BYLITGQAQASMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-6-9(3)20-13-8-12-10(7-11(13)16)14(17-5-2)15(19)18-12/h7-9,14,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one has a molecular weight of 296.80 g/mol, XLogP of 3.51, 6 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-pentan-2-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 102982355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).