4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one

C18H17FN2O3 — CID 110427340

IUPAC4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
SMILESO=C(CCCc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H17FN2O3/c19-16-6-2-1-4-13(16)5-3-7-18(22)20-11-10-14-8-9-15(21(23)24)12-17(14)20/h1-2,4,6,8-9,12H,3,5,7,10-11H2
InChIKeySEPISSQSYFXNNK-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.65
Rot. Bonds5

About 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one

4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 110427340) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID110427340
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
SMILESO=C(CCCc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C18H17FN2O3/c19-16-6-2-1-4-13(16)5-3-7-18(22)20-11-10-14-8-9-15(21(23)24)12-17(14)20/h1-2,4,6,8-9,12H,3,5,7,10-11H2
InChIKeySEPISSQSYFXNNK-UHFFFAOYSA-N
XLogP3.65
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 17439636
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
1-(6-nitro-2,3-dihydroindol-1-yl)-4-pyridin-3-ylbutan-1-one
CID 110427346
methyl 9-(6-nitro-2,3-dihydroindol-1-yl)-9-oxononanoate
CID 171647830
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110287366
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 87017956
2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 31754660
3-(3,5-dimethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161133
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one (CID 110427340) is 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one is O=C(CCCc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is SEPISSQSYFXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-16-6-2-1-4-13(16)5-3-7-18(22)20-11-10-14-8-9-15(21(23)24)12-17(14)20/h1-2,4,6,8-9,12H,3,5,7,10-11H2.
What are the key properties of 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one?
4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 328.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 110427340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).