5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one

C17H16BrNO2 — CID 23612654

IUPAC5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(CC2C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C17H16BrNO2/c1-2-21-13-6-3-11(4-7-13)9-15-14-10-12(18)5-8-16(14)19-17(15)20/h3-8,10,15H,2,9H2,1H3,(H,19,20)
InChIKeyFDSGNWGDOUSHEL-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.13
Rot. Bonds4

About 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one

5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 23612654) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID23612654
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(CC2C(=O)Nc3ccc(Br)cc32)cc1
InChIInChI=1S/C17H16BrNO2/c1-2-21-13-6-3-11(4-7-13)9-15-14-10-12(18)5-8-16(14)19-17(15)20/h3-8,10,15H,2,9H2,1H3,(H,19,20)
InChIKeyFDSGNWGDOUSHEL-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CID 23612654) is 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one is CCOc1ccc(CC2C(=O)Nc3ccc(Br)cc32)cc1.
What is the InChIKey of 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is FDSGNWGDOUSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-2-21-13-6-3-11(4-7-13)9-15-14-10-12(18)5-8-16(14)19-17(15)20/h3-8,10,15H,2,9H2,1H3,(H,19,20).
What are the key properties of 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one?
5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 346.22 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(4-ethoxyphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 23612654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).