1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone

C16H14FNO — CID 116594496

IUPAC1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CNc2ccccc21
InChIInChI=1S/C16H14FNO/c17-12-5-3-4-11(8-12)9-16(19)14-10-18-15-7-2-1-6-13(14)15/h1-8,14,18H,9-10H2
InChIKeyRPVGVFWHNNRQHQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.15
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone

1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 116594496) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
PubChem CID116594496
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)C1CNc2ccccc21
InChIInChI=1S/C16H14FNO/c17-12-5-3-4-11(8-12)9-16(19)14-10-18-15-7-2-1-6-13(14)15/h1-8,14,18H,9-10H2
InChIKeyRPVGVFWHNNRQHQ-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2-(3-fluorophenyl)ethanone
CID 116550173
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107311420
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
CID 116594740
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
3-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1H-indol-3-yl)propan-1-one
CID 70031659
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565407
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
2-(2,4-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573426

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone (CID 116594496) is 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)C1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is RPVGVFWHNNRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-12-5-3-4-11(8-12)9-16(19)14-10-18-15-7-2-1-6-13(14)15/h1-8,14,18H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone?
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 255.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116594496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).