1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one

C14H11BrFNO — CID 107603133

IUPAC1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1c(F)cccc1Br
InChIInChI=1S/C14H11BrFNO/c15-10-3-1-4-11(16)14(10)17-8-7-9-12(17)5-2-6-13(9)18/h1,3-4,7-8H,2,5-6H2
InChIKeyIAMISUOXXCHTID-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.90
Rot. Bonds1

About 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one

1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 107603133) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID107603133
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1c(F)cccc1Br
InChIInChI=1S/C14H11BrFNO/c15-10-3-1-4-11(16)14(10)17-8-7-9-12(17)5-2-6-13(9)18/h1,3-4,7-8H,2,5-6H2
InChIKeyIAMISUOXXCHTID-UHFFFAOYSA-N
XLogP3.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dibromophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466404
1-[3-(dimethylamino)phenyl]-6,7-dihydro-5H-indol-4-one
CID 115379070
1-(2,4,5-trichlorophenyl)-6,7-dihydro-5H-indol-4-one
CID 63466580
1-(2-bromo-6-fluorophenyl)pyrrole-2,5-dione
CID 107600944
9-fluoro-1-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 82402127
1-(2-bromo-6-fluorophenyl)pyrrolidin-3-one
CID 107600598
1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115983071
9-bromo-3,4-dihydro-2H-1-benzoxepin-5-one
CID 43153232
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790
4-(2-bromo-6-fluorophenyl)piperazine-2,6-dione
CID 107603680
methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
CID 114916536
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
CID 141033006

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one (CID 107603133) is 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is IAMISUOXXCHTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c15-10-3-1-4-11(16)14(10)17-8-7-9-12(17)5-2-6-13(9)18/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one?
1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 308.15 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 107603133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).