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

C16H13Br2NO — CID 107980005

IUPAC3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20)
InChIKeyJHOBUEYRCJZRRX-UHFFFAOYSA-N
MW395.09 g/mol
LogP4.95
Rot. Bonds2

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

3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 107980005) has the molecular formula C16H13Br2NO and a molecular weight of 395.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID107980005
Molecular FormulaC16H13Br2NO
Molecular Weight395.09 g/mol
Exact Mass392.94
IUPAC Name3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cc(Br)c1
InChIInChI=1S/C16H13Br2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20)
InChIKeyJHOBUEYRCJZRRX-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
2,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 114369877
2-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2673412
4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-yl)benzamide
CID 117071799
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
3-bromo-5-chloro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 107939898
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 113339578
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide (CID 107980005) is 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is O=C(Nc1ccc2c(c1)CCC2)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is JHOBUEYRCJZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO/c17-13-6-12(7-14(18)9-13)16(20)19-15-5-4-10-2-1-3-11(10)8-15/h4-9H,1-3H2,(H,19,20).
What are the key properties of 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide?
3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 395.09 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 107980005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).