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

C13H17ClN2O2 — CID 79349562

IUPAC5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC(C)C)c(Cl)cc21
InChIInChI=1S/C13H17ClN2O2/c1-4-15-12-8-5-9(14)11(18-7(2)3)6-10(8)16-13(12)17/h5-7,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyXOSQWUJKORWBSC-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.73
Rot. Bonds4

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

5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one (PubChem CID 79349562) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
PubChem CID79349562
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(OC(C)C)c(Cl)cc21
InChIInChI=1S/C13H17ClN2O2/c1-4-15-12-8-5-9(14)11(18-7(2)3)6-10(8)16-13(12)17/h5-7,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyXOSQWUJKORWBSC-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one (CID 79349562) is 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(OC(C)C)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one?
The InChIKey is XOSQWUJKORWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-15-12-8-5-9(14)11(18-7(2)3)6-10(8)16-13(12)17/h5-7,12,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one?
5-chloro-3-(ethylamino)-6-propan-2-yloxy-1,3-dihydroindol-2-one has a molecular weight of 268.74 g/mol, XLogP of 2.73, 4 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-propan-2-yloxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).