1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone

C18H16FNO — CID 43339295

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
SMILESCCc1cccc2c(C(=O)Cc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H16FNO/c1-2-13-4-3-5-15-16(11-20-18(13)15)17(21)10-12-6-8-14(19)9-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyNEQVMVSVFHMKTP-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.29
Rot. Bonds4

About 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone

1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 43339295) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
PubChem CID43339295
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
SMILESCCc1cccc2c(C(=O)Cc3ccc(F)cc3)c[nH]c12
InChIInChI=1S/C18H16FNO/c1-2-13-4-3-5-15-16(11-20-18(13)15)17(21)10-12-6-8-14(19)9-7-12/h3-9,11,20H,2,10H2,1H3
InChIKeyNEQVMVSVFHMKTP-UHFFFAOYSA-N
XLogP4.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339323
1-(7-ethyl-1H-indol-3-yl)octan-1-one
CID 43339303
(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(5R)-5-ethyl-3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7181283
1-(5-fluoro-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 63841273
2-(4-benzylpyridin-1-ium-1-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 8859871
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63491466
4-[[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 33394687
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone (CID 43339295) is 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone is CCc1cccc2c(C(=O)Cc3ccc(F)cc3)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is NEQVMVSVFHMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-2-13-4-3-5-15-16(11-20-18(13)15)17(21)10-12-6-8-14(19)9-7-12/h3-9,11,20H,2,10H2,1H3.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone?
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 281.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 43339295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).