2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

C24H19BrFNO2 — CID 2109790

IUPAC2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccc(F)cc2Br)c2ccccc21
InChIInChI=1S/C24H19BrFNO2/c1-2-27-20-11-7-6-10-18(20)23(24(27)16-8-4-3-5-9-16)21(28)15-29-22-13-12-17(26)14-19(22)25/h3-14H,2,15H2,1H3
InChIKeyHBENUCIVEQZLJD-UHFFFAOYSA-N
MW452.32 g/mol
LogP6.49
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone

2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (PubChem CID 2109790) has the molecular formula C24H19BrFNO2 and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
PubChem CID2109790
Molecular FormulaC24H19BrFNO2
Molecular Weight452.32 g/mol
Exact Mass451.06
IUPAC Name2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)COc2ccc(F)cc2Br)c2ccccc21
InChIInChI=1S/C24H19BrFNO2/c1-2-27-20-11-7-6-10-18(20)23(24(27)16-8-4-3-5-9-16)21(28)15-29-22-13-12-17(26)14-19(22)25/h3-14H,2,15H2,1H3
InChIKeyHBENUCIVEQZLJD-UHFFFAOYSA-N
XLogP6.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397559
2-(4-methoxyphenyl)-1-(2-methyl-1-pentyl-1H-indol-3-yl)ethanone
CID 44397671
ethyl 5-(acetyloxy)-6-bromo-1-butyl-2-methyl-1H-indole-3-carboxylate
CID 1844205
2-methyl-1-(2-phenoxyethyl)-1H-indole-3-carbaldehyde
CID 817599
Ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
1-(1-Benzyl-2-methyl-5-prop-2-ynoxyindol-3-yl)ethanone
CID 1844663
2-(2,4-difluorophenoxy)-1-methyl-1H-indole-3-carbaldehyde
CID 2774190
ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
CID 1038543
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-phenoxyacetate
CID 1205402
ethyl {[3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl]oxy}acetate
CID 1206968
2-phenylethyl 2-{1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetate
CID 10648828
1-(5-ethoxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 940424

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone (CID 2109790) is 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is CCn1c(-c2ccccc2)c(C(=O)COc2ccc(F)cc2Br)c2ccccc21.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The InChIKey is HBENUCIVEQZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFNO2/c1-2-27-20-11-7-6-10-18(20)23(24(27)16-8-4-3-5-9-16)21(28)15-29-22-13-12-17(26)14-19(22)25/h3-14H,2,15H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone has a molecular weight of 452.32 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 2109790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).