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

C19H18BrNO — CID 133178298

IUPAC(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
SMILESCC1Cc2cc(Br)ccc2N1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18BrNO/c1-13-11-14-12-16(20)7-8-17(14)21(13)18(22)19(9-10-19)15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3
InChIKeyQANAEOCNDSNDGO-UHFFFAOYSA-N
MW356.26 g/mol
LogP4.46
Rot. Bonds2

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

(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 133178298) has the molecular formula C19H18BrNO and a molecular weight of 356.26 g/mol. Its IUPAC name is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
PubChem CID133178298
Molecular FormulaC19H18BrNO
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
SMILESCC1Cc2cc(Br)ccc2N1C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H18BrNO/c1-13-11-14-12-16(20)7-8-17(14)21(13)18(22)19(9-10-19)15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3
InChIKeyQANAEOCNDSNDGO-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(1,3-benzodioxol-5-yl)cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 113198975
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
1-[3-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 100772298
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100784868
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 133159414
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
N-[3-(5-bromo-2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]ethanesulfonamide
CID 133260892
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 133179670
N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 100789986

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone (CID 133178298) is (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone is CC1Cc2cc(Br)ccc2N1C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is QANAEOCNDSNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO/c1-13-11-14-12-16(20)7-8-17(14)21(13)18(22)19(9-10-19)15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3.
What are the key properties of (5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 356.26 g/mol, XLogP of 4.46, 2 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)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 133178298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).