3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one

C19H20N2O4 — CID 37161738

IUPAC3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H20N2O4/c1-2-25-18-6-4-3-5-15(18)8-10-19(22)20-12-11-14-7-9-16(21(23)24)13-17(14)20/h3-7,9,13H,2,8,10-12H2,1H3
InChIKeyCEEHEJNLKGGKQZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.52
Rot. Bonds6

About 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one

3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 37161738) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID37161738
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCOc1ccccc1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C19H20N2O4/c1-2-25-18-6-4-3-5-15(18)8-10-19(22)20-12-11-14-7-9-16(21(23)24)13-17(14)20/h3-7,9,13H,2,8,10-12H2,1H3
InChIKeyCEEHEJNLKGGKQZ-UHFFFAOYSA-N
XLogP3.52
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
3-(3,5-dimethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161133
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110287366
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 31754660
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
1-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 4005404
1-(5-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 3584767

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one (CID 37161738) is 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one is CCOc1ccccc1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is CEEHEJNLKGGKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-18-6-4-3-5-15(18)8-10-19(22)20-12-11-14-7-9-16(21(23)24)13-17(14)20/h3-7,9,13H,2,8,10-12H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one?
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 340.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 37161738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).