1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone

C18H16BrNO — CID 102233608

IUPAC1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(/C=C/c3ccc(Br)cc3)c21
InChIInChI=1S/C18H16BrNO/c1-13(21)20-12-11-16-4-2-3-15(18(16)20)8-5-14-6-9-17(19)10-7-14/h2-10H,11-12H2,1H3/b8-5+
InChIKeyLHORNTVMCKZVFK-VMPITWQZSA-N
MW342.24 g/mol
LogP4.53
Rot. Bonds2

About 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone

1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 102233608) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID102233608
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cccc(/C=C/c3ccc(Br)cc3)c21
InChIInChI=1S/C18H16BrNO/c1-13(21)20-12-11-16-4-2-3-15(18(16)20)8-5-14-6-9-17(19)10-7-14/h2-10H,11-12H2,1H3/b8-5+
InChIKeyLHORNTVMCKZVFK-VMPITWQZSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[7-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone
CID 102233606
N-(1-acetyl-2,3-dihydroindol-7-yl)-4-bromobenzamide
CID 112537123
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
1-(6-bromo-7-iodo-2,3-dihydroindol-1-yl)ethanone
CID 14059145
tert-butyl 7-formyl-2,3-dihydroindole-1-carboxylate
CID 1481360
5-(1-acetyl-2,3-dihydroindol-7-yl)furan-2-carbaldehyde
CID 169332959
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
3-(4-bromophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 898078
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-(7-bromo-2,3-dihydroindol-1-yl)-2-chloroethanone
CID 166407068
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone (CID 102233608) is 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cccc(/C=C/c3ccc(Br)cc3)c21.
What is the InChIKey of 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is LHORNTVMCKZVFK-VMPITWQZSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-13(21)20-12-11-16-4-2-3-15(18(16)20)8-5-14-6-9-17(19)10-7-14/h2-10H,11-12H2,1H3/b8-5+.
What are the key properties of 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 342.24 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(E)-2-(4-bromophenyl)ethenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 102233608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).