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

C18H19ClN2O2 — CID 10711537

IUPAC7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESCc1ccc(CNCCOc2ccc(Cl)c3c2CC(=O)N3)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-2-4-13(5-3-12)11-20-8-9-23-16-7-6-15(19)18-14(16)10-17(22)21-18/h2-7,20H,8-11H2,1H3,(H,21,22)
InChIKeyGZDWJPMFRZBGFX-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.31
Rot. Bonds6

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

7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (PubChem CID 10711537) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
PubChem CID10711537
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one
SMILESCc1ccc(CNCCOc2ccc(Cl)c3c2CC(=O)N3)cc1
InChIInChI=1S/C18H19ClN2O2/c1-12-2-4-13(5-3-12)11-20-8-9-23-16-7-6-15(19)18-14(16)10-17(22)21-18/h2-7,20H,8-11H2,1H3,(H,21,22)
InChIKeyGZDWJPMFRZBGFX-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.31
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
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
4-(2-Butylamino-ethoxy)-7-chloro-1,3-dihydro-indol-2-one
CID 10802894
7-Chloro-4-[2-(1,3-dihydro-isoindol-2-yl)-ethoxy]-1,3-dihydro-indol-2-one
CID 10853769
(3-chloro-4-fluorophenyl)-[4-[[2-(2,3-dihydro-1H-indol-4-yloxy)ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 132257058
7-Chloro-4-[2-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethoxy]-1,3-dihydro-indol-2-one
CID 44303541

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The IUPAC name of 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one (CID 10711537) is 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The canonical SMILES for 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is Cc1ccc(CNCCOc2ccc(Cl)c3c2CC(=O)N3)cc1.
What is the InChIKey of 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
The InChIKey is GZDWJPMFRZBGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-2-4-13(5-3-12)11-20-8-9-23-16-7-6-15(19)18-14(16)10-17(22)21-18/h2-7,20H,8-11H2,1H3,(H,21,22).
What are the key properties of 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one?
7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one has a molecular weight of 330.81 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-[(4-methylphenyl)methylamino]ethoxy]-1,3-dihydroindol-2-one is sourced from PubChem (CID 10711537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).