2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

C16H13FN2O3 — CID 17439636

IUPAC2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H13FN2O3/c17-14-4-2-1-3-12(14)9-16(20)18-8-7-11-5-6-13(19(21)22)10-15(11)18/h1-6,10H,7-9H2
InChIKeyQPTHFRIQLBSTST-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 17439636) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
PubChem CID17439636
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H13FN2O3/c17-14-4-2-1-3-12(14)9-16(20)18-8-7-11-5-6-13(19(21)22)10-15(11)18/h1-6,10H,7-9H2
InChIKeyQPTHFRIQLBSTST-UHFFFAOYSA-N
XLogP2.87
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.87
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

4-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)butan-1-one
CID 110427340
2-(2-fluorophenyl)sulfanyl-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37162610
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 87017956
1-(6-nitro-2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylethanone
CID 32728455
3-(2-ethoxyphenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)propan-1-one
CID 37161738
1-(6-nitro-2,3-dihydroindol-1-yl)-3-phenoxypropan-1-one
CID 37163328
2-(2,4-difluorophenoxy)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 31754660
2-(methylamino)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119699453
2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110287366
1-(6-nitro-2,3-dihydroindol-1-yl)hexadecan-1-one
CID 2848232
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37161899

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone (CID 17439636) is 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is O=C(Cc1ccccc1F)N1CCc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is QPTHFRIQLBSTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-14-4-2-1-3-12(14)9-16(20)18-8-7-11-5-6-13(19(21)22)10-15(11)18/h1-6,10H,7-9H2.
What are the key properties of 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone?
2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 300.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 17439636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).