(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone

C16H12BrF2NO — CID 133239491

IUPAC(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1Cc2cc(Br)ccc2N1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H12BrF2NO/c1-9-6-10-7-11(17)2-5-15(10)20(9)16(21)13-8-12(18)3-4-14(13)19/h2-5,7-9H,6H2,1H3
InChIKeyQYWZHKYNGUJRCO-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.32
Rot. Bonds1

About (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone

(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone (PubChem CID 133239491) has the molecular formula C16H12BrF2NO and a molecular weight of 352.18 g/mol. Its IUPAC name is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
PubChem CID133239491
Molecular FormulaC16H12BrF2NO
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
SMILESCC1Cc2cc(Br)ccc2N1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H12BrF2NO/c1-9-6-10-7-11(17)2-5-15(10)20(9)16(21)13-8-12(18)3-4-14(13)19/h2-5,7-9H,6H2,1H3
InChIKeyQYWZHKYNGUJRCO-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
N-[(1S)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782678
N-[(1R)-3-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]methanesulfonamide
CID 100782674
5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239524
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
CID 133178298
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100772133
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 100772298

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone (CID 133239491) is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone is CC1Cc2cc(Br)ccc2N1C(=O)c1cc(F)ccc1F.
What is the InChIKey of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone?
The InChIKey is QYWZHKYNGUJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2NO/c1-9-6-10-7-11(17)2-5-15(10)20(9)16(21)13-8-12(18)3-4-14(13)19/h2-5,7-9H,6H2,1H3.
What are the key properties of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone?
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone has a molecular weight of 352.18 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 133239491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).