5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one

C17H15ClN2O2 — CID 90705422

IUPAC5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)19-10-15-14-9-11(18)3-8-16(14)20-17(15)21/h3-10,15H,2H2,1H3,(H,20,21)/b19-10+
InChIKeyIGQASTKXTRHKDH-VXLYETTFSA-N
MW314.77 g/mol
LogP4.18
Rot. Bonds4

About 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one

5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90705422) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90705422
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)19-10-15-14-9-11(18)3-8-16(14)20-17(15)21/h3-10,15H,2H2,1H3,(H,20,21)/b19-10+
InChIKeyIGQASTKXTRHKDH-VXLYETTFSA-N
XLogP4.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one (CID 90705422) is 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one is CCOc1ccc(/N=C/C2C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is IGQASTKXTRHKDH-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-22-13-6-4-12(5-7-13)19-10-15-14-9-11(18)3-8-16(14)20-17(15)21/h3-10,15H,2H2,1H3,(H,20,21)/b19-10+.
What are the key properties of 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one?
5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 314.77 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).