2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide

C17H16BrNO — CID 104693584

IUPAC2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H16BrNO/c1-11-6-7-16(18)15(8-11)17(20)19-14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyCUVJLYPQFMIRAA-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.65
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide

2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide (PubChem CID 104693584) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
PubChem CID104693584
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2Cc3ccccc3C2)c1
InChIInChI=1S/C17H16BrNO/c1-11-6-7-16(18)15(8-11)17(20)19-14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyCUVJLYPQFMIRAA-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-2-hydroxy-5-methylbenzamide
CID 104693636
2-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methylbenzamide
CID 103862955
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 107853184
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)furan-3-carboxamide
CID 106899069
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide (CID 104693584) is 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC2Cc3ccccc3C2)c1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide?
The InChIKey is CUVJLYPQFMIRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-6-7-16(18)15(8-11)17(20)19-14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide?
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide has a molecular weight of 330.23 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide is sourced from PubChem (CID 104693584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).