5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one

C18H16BrNO — CID 61098131

IUPAC5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc4c(c3)CCC4)ccc2N1
InChIInChI=1S/C18H16BrNO/c19-18(13-5-4-11-2-1-3-12(11)8-13)14-6-7-16-15(9-14)10-17(21)20-16/h4-9,18H,1-3,10H2,(H,20,21)
InChIKeyFHLYHANJEKVCPT-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.15
Rot. Bonds2

About 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one

5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61098131) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID61098131
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(Br)c3ccc4c(c3)CCC4)ccc2N1
InChIInChI=1S/C18H16BrNO/c19-18(13-5-4-11-2-1-3-12(11)8-13)14-6-7-16-15(9-14)10-17(21)20-16/h4-9,18H,1-3,10H2,(H,20,21)
InChIKeyFHLYHANJEKVCPT-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61087937
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
7-[bromo-(3-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 63442904
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[bromo-(4,5-dimethylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 65238601
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63437148
5-[bromo-(2-bromo-6-fluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 114560636
7-[bromo-(2-iodophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096575
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756

Frequently Asked Questions

What is the IUPAC name of 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one (CID 61098131) is 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(Br)c3ccc4c(c3)CCC4)ccc2N1.
What is the InChIKey of 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is FHLYHANJEKVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-18(13-5-4-11-2-1-3-12(11)8-13)14-6-7-16-15(9-14)10-17(21)20-16/h4-9,18H,1-3,10H2,(H,20,21).
What are the key properties of 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one?
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 342.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61098131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).