2-(2-aminocyclohexyl)oxy-6-bromobenzamide

C13H17BrN2O2 — CID 114887759

IUPAC2-(2-aminocyclohexyl)oxy-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1OC1CCCCC1N
InChIInChI=1S/C13H17BrN2O2/c14-8-4-3-7-11(12(8)13(16)17)18-10-6-2-1-5-9(10)15/h3-4,7,9-10H,1-2,5-6,15H2,(H2,16,17)
InChIKeyIMYMXMOLSIAWRV-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-aminocyclohexyl)oxy-6-bromobenzamide

2-(2-aminocyclohexyl)oxy-6-bromobenzamide (PubChem CID 114887759) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)oxy-6-bromobenzamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)oxy-6-bromobenzamide
PubChem CID114887759
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-(2-aminocyclohexyl)oxy-6-bromobenzamide
SMILESNC(=O)c1c(Br)cccc1OC1CCCCC1N
InChIInChI=1S/C13H17BrN2O2/c14-8-4-3-7-11(12(8)13(16)17)18-10-6-2-1-5-9(10)15/h3-4,7,9-10H,1-2,5-6,15H2,(H2,16,17)
InChIKeyIMYMXMOLSIAWRV-UHFFFAOYSA-N
XLogP2.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)oxy-6-bromobenzamide?
The IUPAC name of 2-(2-aminocyclohexyl)oxy-6-bromobenzamide (CID 114887759) is 2-(2-aminocyclohexyl)oxy-6-bromobenzamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)oxy-6-bromobenzamide?
The canonical SMILES for 2-(2-aminocyclohexyl)oxy-6-bromobenzamide is NC(=O)c1c(Br)cccc1OC1CCCCC1N.
What is the InChIKey of 2-(2-aminocyclohexyl)oxy-6-bromobenzamide?
The InChIKey is IMYMXMOLSIAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-8-4-3-7-11(12(8)13(16)17)18-10-6-2-1-5-9(10)15/h3-4,7,9-10H,1-2,5-6,15H2,(H2,16,17).
What are the key properties of 2-(2-aminocyclohexyl)oxy-6-bromobenzamide?
2-(2-aminocyclohexyl)oxy-6-bromobenzamide has a molecular weight of 313.19 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)oxy-6-bromobenzamide is sourced from PubChem (CID 114887759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).