2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide

C13H15BrN2O2 — CID 118167892

IUPAC2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1OC1CCNC2CC21
InChIInChI=1S/C13H15BrN2O2/c14-7-1-2-11(9(5-7)13(15)17)18-12-3-4-16-10-6-8(10)12/h1-2,5,8,10,12,16H,3-4,6H2,(H2,15,17)
InChIKeyAVRIDDZNYZWNOZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.68
Rot. Bonds3

About 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide

2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide (PubChem CID 118167892) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide.

Molecular Properties

Compound Name2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide
PubChem CID118167892
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1OC1CCNC2CC21
InChIInChI=1S/C13H15BrN2O2/c14-7-1-2-11(9(5-7)13(15)17)18-12-3-4-16-10-6-8(10)12/h1-2,5,8,10,12,16H,3-4,6H2,(H2,15,17)
InChIKeyAVRIDDZNYZWNOZ-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[[(1S,5S)-6-oxa-3-azabicyclo[3.2.1]octan-8-yl]oxy]benzamide
CID 118167748
2-(2-aminocyclohexyl)oxy-4-bromobenzamide
CID 114907115
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
5-bromo-2-(3-pyrrolidin-2-ylpiperidin-1-yl)benzamide
CID 114893891
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
2-(2-aminocyclopentyl)oxy-5-fluorobenzamide
CID 113395445
5-bromo-2-(1-methylpyrrolidin-3-yl)oxybenzenecarbothioamide
CID 112741320

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide?
The IUPAC name of 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide (CID 118167892) is 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide.
What is the SMILES notation for 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide?
The canonical SMILES for 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide is NC(=O)c1cc(Br)ccc1OC1CCNC2CC21.
What is the InChIKey of 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide?
The InChIKey is AVRIDDZNYZWNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-7-1-2-11(9(5-7)13(15)17)18-12-3-4-16-10-6-8(10)12/h1-2,5,8,10,12,16H,3-4,6H2,(H2,15,17).
What are the key properties of 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide?
2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide has a molecular weight of 311.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[4.1.0]heptan-5-yloxy)-5-bromobenzamide is sourced from PubChem (CID 118167892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).