2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone

C16H11ClFNO — CID 63841269

IUPAC2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO/c17-14-4-2-1-3-10(14)7-16(20)13-9-19-15-6-5-11(18)8-12(13)15/h1-6,8-9,19H,7H2
InChIKeyTXLQSJYNWVCAJK-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.39
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone

2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone (PubChem CID 63841269) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
PubChem CID63841269
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H11ClFNO/c17-14-4-2-1-3-10(14)7-16(20)13-9-19-15-6-5-11(18)8-12(13)15/h1-6,8-9,19H,7H2
InChIKeyTXLQSJYNWVCAJK-UHFFFAOYSA-N
XLogP4.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
(3-chloro-2-fluorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81267214
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
2-(2-chloro-6-fluorophenyl)-1-(6-fluoro-1H-indol-3-yl)ethanone
CID 43163477
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
2-(ethylamino)-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 82493978
1-(5-fluoro-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 82496275
2-cyclopentyl-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 53417022

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone (CID 63841269) is 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone is O=C(Cc1ccccc1Cl)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is TXLQSJYNWVCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-14-4-2-1-3-10(14)7-16(20)13-9-19-15-6-5-11(18)8-12(13)15/h1-6,8-9,19H,7H2.
What are the key properties of 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone?
2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 287.72 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(5-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 63841269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).