N-(2-bromo-3-methylphenyl)acetamide

C9H10BrNO — CID 15152789

IUPACN-(2-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C)c1Br
InChIInChI=1S/C9H10BrNO/c1-6-4-3-5-8(9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyAJGHFEBYJFDDON-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.72
Rot. Bonds1

About N-(2-bromo-3-methylphenyl)acetamide

N-(2-bromo-3-methylphenyl)acetamide (PubChem CID 15152789) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)acetamide
PubChem CID15152789
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-(2-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C)c1Br
InChIInChI=1S/C9H10BrNO/c1-6-4-3-5-8(9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKeyAJGHFEBYJFDDON-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)acetamide?
The IUPAC name of N-(2-bromo-3-methylphenyl)acetamide (CID 15152789) is N-(2-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-3-methylphenyl)acetamide is CC(=O)Nc1cccc(C)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)acetamide?
The InChIKey is AJGHFEBYJFDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-3-5-8(9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(2-bromo-3-methylphenyl)acetamide?
N-(2-bromo-3-methylphenyl)acetamide has a molecular weight of 228.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 15152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).