4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one

C14H19ClN2O2 — CID 10802894

IUPAC4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one
SMILESCCCCNCCOc1ccc(Cl)c2c1CC(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-2-3-6-16-7-8-19-12-5-4-11(15)14-10(12)9-13(18)17-14/h4-5,16H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyUGVNNOUXZAJBHJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.60
Rot. Bonds7

About 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one

4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one (PubChem CID 10802894) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one
PubChem CID10802894
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one
SMILESCCCCNCCOc1ccc(Cl)c2c1CC(=O)N2
InChIInChI=1S/C14H19ClN2O2/c1-2-3-6-16-7-8-19-12-5-4-11(15)14-10(12)9-13(18)17-14/h4-5,16H,2-3,6-9H2,1H3,(H,17,18)
InChIKeyUGVNNOUXZAJBHJ-UHFFFAOYSA-N
XLogP2.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
7-Chloro-4-{2-[(thiophen-3-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 9840168
4-(2-Benzylamino-ethoxy)-7-chloro-1,3-dihydro-indol-2-one
CID 10313715
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
7-Chloro-4-{2-[(thiophen-2-ylmethyl)-amino]-ethoxy}-1,3-dihydro-indol-2-one
CID 10663658
7-Chloro-4-[2-(4-methyl-benzylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10711537
4-(2-Benzylamino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10732973
4-[2-(Cyclohexylmethyl-amino)-ethoxy]-7-fluoro-1,3-dihydro-indol-2-one
CID 10757042
7-Chloro-4-[2-(1,3-dihydro-isoindol-2-yl)-ethoxy]-1,3-dihydro-indol-2-one
CID 10853769
7-Chloro-4-[2-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethoxy]-1,3-dihydro-indol-2-one
CID 44303541
7-Chloro-4-[2-(4-chloro-benzylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10498102

Frequently Asked Questions

What is the IUPAC name of 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one (CID 10802894) is 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one is CCCCNCCOc1ccc(Cl)c2c1CC(=O)N2.
What is the InChIKey of 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one?
The InChIKey is UGVNNOUXZAJBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-3-6-16-7-8-19-12-5-4-11(15)14-10(12)9-13(18)17-14/h4-5,16H,2-3,6-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one?
4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one has a molecular weight of 282.77 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylamino)ethoxy]-7-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10802894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).