2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

C16H13BrFNO — CID 116611894

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13BrFNO/c17-14-9-13(18)4-3-11(14)8-16(20)12-2-1-10-5-6-19-15(10)7-12/h1-4,7,9,19H,5-6,8H2
InChIKeyRQLSFZNIJBXYFB-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (PubChem CID 116611894) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
PubChem CID116611894
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1Br)c1ccc2c(c1)NCC2
InChIInChI=1S/C16H13BrFNO/c17-14-9-13(18)4-3-11(14)8-16(20)12-2-1-10-5-6-19-15(10)7-12/h1-4,7,9,19H,5-6,8H2
InChIKeyRQLSFZNIJBXYFB-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 114968030
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2-(2-bromo-4-fluorophenyl)-1-(3-bromophenyl)ethanone
CID 63411397
2-(2-bromo-4-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 62620275
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116611918
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanone
CID 114968001

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone (CID 116611894) is 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is O=C(Cc1ccc(F)cc1Br)c1ccc2c(c1)NCC2.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
The InChIKey is RQLSFZNIJBXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-14-9-13(18)4-3-11(14)8-16(20)12-2-1-10-5-6-19-15(10)7-12/h1-4,7,9,19H,5-6,8H2.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone has a molecular weight of 334.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone is sourced from PubChem (CID 116611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).