1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone

C16H10BrF2NO — CID 115351551

IUPAC1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H10BrF2NO/c17-12-2-1-3-14-16(12)11(8-20-14)15(21)6-9-4-5-10(18)7-13(9)19/h1-5,7-8,20H,6H2
InChIKeyGXQSEXDLOGJGED-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.63
Rot. Bonds3

About 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone

1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 115351551) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
PubChem CID115351551
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H10BrF2NO/c17-12-2-1-3-14-16(12)11(8-20-14)15(21)6-9-4-5-10(18)7-13(9)19/h1-5,7-8,20H,6H2
InChIKeyGXQSEXDLOGJGED-UHFFFAOYSA-N
XLogP4.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482
(2-amino-5-fluorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115352092
1-(2-bromo-6-fluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 114559875
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
CID 83164264
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
4-bromo-3-fluoro-1H-indole
CID 66817286
1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
(4-bromo-1H-indol-3-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115351557
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone (CID 115351551) is 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone is O=C(Cc1ccc(F)cc1F)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is GXQSEXDLOGJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-12-2-1-3-14-16(12)11(8-20-14)15(21)6-9-4-5-10(18)7-13(9)19/h1-5,7-8,20H,6H2.
What are the key properties of 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone?
1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 350.16 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1H-indol-3-yl)-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 115351551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).