N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide

C13H15BrN2O — CID 65312004

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H15BrN2O/c1-7-2-3-8(14)4-9(7)13(17)16-12-10-5-15-6-11(10)12/h2-4,10-12,15H,5-6H2,1H3,(H,16,17)
InChIKeyFATIYDPOPODFFY-UHFFFAOYSA-N
MW295.18 g/mol
LogP1.71
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide (PubChem CID 65312004) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
PubChem CID65312004
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NC1C2CNCC21
InChIInChI=1S/C13H15BrN2O/c1-7-2-3-8(14)4-9(7)13(17)16-12-10-5-15-6-11(10)12/h2-4,10-12,15H,5-6H2,1H3,(H,16,17)
InChIKeyFATIYDPOPODFFY-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-iodobenzamide
CID 114032600
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
N-(azepan-3-yl)-5-bromo-2-methylbenzamide
CID 65311485
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-5-bromo-2-methylbenzamide
CID 66194773
5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-5-methylbenzamide
CID 43594423
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-hydroxy-3-methylbenzamide
CID 43594388
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-fluoro-4-methylbenzamide
CID 43594335

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide (CID 65312004) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide?
The InChIKey is FATIYDPOPODFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-7-2-3-8(14)4-9(7)13(17)16-12-10-5-15-6-11(10)12/h2-4,10-12,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide has a molecular weight of 295.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-bromo-2-methylbenzamide is sourced from PubChem (CID 65312004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).