2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

C15H21BrN2O — CID 1300052

IUPAC2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-12-6-7-14(13(16)10-12)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyOYAFGFKQIQVEQH-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.57
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide

2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 1300052) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID1300052
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1
InChIInChI=1S/C15H21BrN2O/c1-12-6-7-14(13(16)10-12)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyOYAFGFKQIQVEQH-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide (CID 1300052) is 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCCCCC2)c(Br)c1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is OYAFGFKQIQVEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-6-7-14(13(16)10-12)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide?
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 1300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).