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

C15H21ClN2O2 — CID 79349036

IUPAC5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCCC(C)C)c(Cl)cc21
InChIInChI=1S/C15H21ClN2O2/c1-4-17-14-10-7-11(16)13(20-6-5-9(2)3)8-12(10)18-15(14)19/h7-9,14,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyPXDVWCUFSVCQTB-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.37
Rot. Bonds6

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

5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one (PubChem CID 79349036) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
PubChem CID79349036
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OCCC(C)C)c(Cl)cc21
InChIInChI=1S/C15H21ClN2O2/c1-4-17-14-10-7-11(16)13(20-6-5-9(2)3)8-12(10)18-15(14)19/h7-9,14,17H,4-6H2,1-3H3,(H,18,19)
InChIKeyPXDVWCUFSVCQTB-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
CID 79349562
5-chloro-3-(ethylamino)-6-pentan-2-yloxy-1,3-dihydroindol-2-one
CID 102982355
6-butan-2-yloxy-5-chloro-3-(ethylamino)-1,3-dihydroindol-2-one
CID 79349040
3-amino-5-chloro-6-(4-methylpentoxy)-1,3-dihydroindol-2-one
CID 79349477
5-bromo-3-(methylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one
CID 79342125
5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 106202211
5-chloro-6-(3-hydroxypropoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349128
5-chloro-6-(2,2-difluoroethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
CID 82005920
5-chloro-6-(2-cyclopropylethoxy)-3-(methylamino)-1,3-dihydroindol-2-one
CID 106202243
5-chloro-3-(ethylamino)-6-[ethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79349532
5-bromo-3-(ethylamino)-6-hexoxy-1,3-dihydroindol-2-one
CID 79344214
3-amino-5-chloro-6-(2-methylpropoxy)-1,3-dihydroindol-2-one
CID 79348948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one (CID 79349036) is 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OCCC(C)C)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
The InChIKey is PXDVWCUFSVCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-17-14-10-7-11(16)13(20-6-5-9(2)3)8-12(10)18-15(14)19/h7-9,14,17H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-(3-methylbutoxy)-1,3-dihydroindol-2-one has a molecular weight of 296.80 g/mol, XLogP of 3.37, 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-(3-methylbutoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).