N-(4-bromo-3,5-dimethylphenyl)acetamide

C10H12BrNO — CID 4246250

IUPACN-(4-bromo-3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-6-4-9(12-8(3)13)5-7(2)10(6)11/h4-5H,1-3H3,(H,12,13)
InChIKeyHXXWQYBIQBWFDI-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.02
Rot. Bonds1

About N-(4-bromo-3,5-dimethylphenyl)acetamide

N-(4-bromo-3,5-dimethylphenyl)acetamide (PubChem CID 4246250) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)acetamide
PubChem CID4246250
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)acetamide
SMILESCC(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C10H12BrNO/c1-6-4-9(12-8(3)13)5-7(2)10(6)11/h4-5H,1-3H3,(H,12,13)
InChIKeyHXXWQYBIQBWFDI-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)acetamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)acetamide (CID 4246250) is N-(4-bromo-3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)acetamide is CC(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)acetamide?
The InChIKey is HXXWQYBIQBWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-4-9(12-8(3)13)5-7(2)10(6)11/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)acetamide?
N-(4-bromo-3,5-dimethylphenyl)acetamide has a molecular weight of 242.12 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 4246250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).