3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one

C10H10Cl2N2O — CID 131282881

IUPAC3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H10Cl2N2O/c11-5-3-7(12)9-6(1-2-13)10(15)14-8(9)4-5/h3-4,6H,1-2,13H2,(H,14,15)
InChIKeyAXFNCTDYZKZOLJ-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.38
Rot. Bonds2

About 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one

3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one (PubChem CID 131282881) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
PubChem CID131282881
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
SMILESNCCC1C(=O)Nc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H10Cl2N2O/c11-5-3-7(12)9-6(1-2-13)10(15)14-8(9)4-5/h3-4,6H,1-2,13H2,(H,14,15)
InChIKeyAXFNCTDYZKZOLJ-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-1,3-dihydroindol-2-one
CID 736344
5-(2-Chloroethyl)-6-chlorooxindole
CID 10609474
3-{4-[4-(3-Chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 11653869
3-{4-[4-(4-Chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11661471
6-Chloro-5-(2-piperazin-1-YL-ethyl)-1,3-dihydro-indol-2-one
CID 22181640
N-[4,6-dichloro-3-(4-chlorophenyl)-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 25190383
(E)-4-chloro-3-(2-oxopropylidene)indolin-2-one
CID 54582753
3-(2,6-Dichlorobenzylidene)indolin-2-one
CID 2047325
4-Chloro-1,3-dihydro-2H-indol-2-one
CID 1480686
3-(2-aminoethyl)-1,3-dihydro-2H-indol-2-one
CID 21095
N-(3,5-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216647
2-Indolinone, 3-(2-aminoethyl)-, hydrochloride
CID 21094

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one (CID 131282881) is 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one is NCCC1C(=O)Nc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one?
The InChIKey is AXFNCTDYZKZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-5-3-7(12)9-6(1-2-13)10(15)14-8(9)4-5/h3-4,6H,1-2,13H2,(H,14,15).
What are the key properties of 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one?
3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one has a molecular weight of 245.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 131282881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).