2-bromo-N-[cyano(cyclohexyl)methyl]benzamide

C15H17BrN2O — CID 61124389

IUPAC2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C15H17BrN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19)
InChIKeyNYHAJPJYVVAHQV-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.65
Rot. Bonds3

About 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide

2-bromo-N-[cyano(cyclohexyl)methyl]benzamide (PubChem CID 61124389) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
PubChem CID61124389
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
SMILESN#CC(NC(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C15H17BrN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19)
InChIKeyNYHAJPJYVVAHQV-UHFFFAOYSA-N
XLogP3.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide (CID 61124389) is 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide is N#CC(NC(=O)c1ccccc1Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide?
The InChIKey is NYHAJPJYVVAHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-13-9-5-4-8-12(13)15(19)18-14(10-17)11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19).
What are the key properties of 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide?
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide has a molecular weight of 321.22 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[cyano(cyclohexyl)methyl]benzamide is sourced from PubChem (CID 61124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).