1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione

C16H12FNO2 — CID 82123544

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c17-13-7-5-12(6-8-13)15(19)16(20)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2
InChIKeyYPRBKESLKSVSQD-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.60
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione

1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione (PubChem CID 82123544) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
PubChem CID82123544
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCc2ccccc21)c1ccc(F)cc1
InChIInChI=1S/C16H12FNO2/c17-13-7-5-12(6-8-13)15(19)16(20)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2
InChIKeyYPRBKESLKSVSQD-UHFFFAOYSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroindole-1-carbothioyl)-4-fluorobenzamide
CID 932733
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 2661473
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-(2,3-dihydroindol-1-yl)-N-(3-fluorophenyl)-2-oxoacetamide
CID 108531920
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110615340
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione (CID 82123544) is 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione is O=C(C(=O)N1CCc2ccccc21)c1ccc(F)cc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione?
The InChIKey is YPRBKESLKSVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-13-7-5-12(6-8-13)15(19)16(20)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione?
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione has a molecular weight of 269.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 82123544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).