5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one

C16H21ClN2O2 — CID 106202211

IUPAC5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21
InChIInChI=1S/C16H21ClN2O2/c1-2-6-18-15-11-8-12(17)14(9-13(11)19-16(15)20)21-7-5-10-3-4-10/h8-10,15,18H,2-7H2,1H3,(H,19,20)
InChIKeyYRHBAVLBRHXECF-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.51
Rot. Bonds7

About 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one

5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 106202211) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID106202211
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21
InChIInChI=1S/C16H21ClN2O2/c1-2-6-18-15-11-8-12(17)14(9-13(11)19-16(15)20)21-7-5-10-3-4-10/h8-10,15,18H,2-7H2,1H3,(H,19,20)
InChIKeyYRHBAVLBRHXECF-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one (CID 106202211) is 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OCCC3CC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is YRHBAVLBRHXECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-2-6-18-15-11-8-12(17)14(9-13(11)19-16(15)20)21-7-5-10-3-4-10/h8-10,15,18H,2-7H2,1H3,(H,19,20).
What are the key properties of 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 308.81 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-cyclopropylethoxy)-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106202211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).