2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide

C16H13Br2NO — CID 114370976

IUPAC2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br2NO/c17-11-6-7-14(18)13(9-11)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8H2,(H,19,20)
InChIKeyUEYLISSVGXEUHM-UHFFFAOYSA-N
MW395.09 g/mol
LogP4.63
Rot. Bonds2

About 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide

2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 114370976) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID114370976
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1cc(Br)ccc1Br
InChIInChI=1S/C16H13Br2NO/c17-11-6-7-14(18)13(9-11)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8H2,(H,19,20)
InChIKeyUEYLISSVGXEUHM-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.09
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
2-bromo-4-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9192392
2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
5-(3-aminopropyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxybenzamide
CID 169298098
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide (CID 114370976) is 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1CCc2ccccc21)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is UEYLISSVGXEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c17-11-6-7-14(18)13(9-11)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8H2,(H,19,20).
What are the key properties of 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 395.09 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 114370976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).