1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone

C17H16BrNO — CID 102662471

IUPAC1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c1-12(20)14-4-7-17-15(10-14)8-9-19(17)11-13-2-5-16(18)6-3-13/h2-7,10H,8-9,11H2,1H3
InChIKeyYNCZVLJNKDTKKM-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.21
Rot. Bonds3

About 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone

1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (PubChem CID 102662471) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
PubChem CID102662471
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c1-12(20)14-4-7-17-15(10-14)8-9-19(17)11-13-2-5-16(18)6-3-13/h2-7,10H,8-9,11H2,1H3
InChIKeyYNCZVLJNKDTKKM-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3,4-difluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662248
1-[1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662285
1-[1-(4-bromobenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737345
1-[1-(2-bromoprop-2-enyl)-2,3-dihydroindol-5-yl]ethanone
CID 102662312
4-[(5-acetamido-2,3-dihydroindol-1-yl)methyl]benzamide
CID 71812022
4-[(5-carbamoyl-2,3-dihydroindol-1-yl)methyl]benzoyl iodide
CID 90075277
1-(1-butyl-2,3-dihydroindol-5-yl)ethanone
CID 102662303
3-(5-acetyl-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 82316589
5-bromo-2,3-dihydro-1H-indene;methyl 4-[(5-bromo-2,3-dihydroindol-1-yl)methyl]benzoate;methyl 4-(bromomethyl)benzoate
CID 160973255
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835
1-(1-benzyl-2,3-dihydroindol-5-yl)-2-hydroxyethanone
CID 58460267
1-[1-[(3-ethylimidazol-4-yl)methyl]-2,3-dihydroindol-5-yl]ethanone
CID 102662460

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone (CID 102662471) is 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is CC(=O)c1ccc2c(c1)CCN2Cc1ccc(Br)cc1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
The InChIKey is YNCZVLJNKDTKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12(20)14-4-7-17-15(10-14)8-9-19(17)11-13-2-5-16(18)6-3-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone?
1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone has a molecular weight of 330.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]-2,3-dihydroindol-5-yl]ethanone is sourced from PubChem (CID 102662471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).