N-(4-bromo-3-methylphenyl)acetamide

C9H10BrNO — CID 738336

IUPACN-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C9H10BrNO/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeyBYZHUFNLXFFINU-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.72
Rot. Bonds1

About N-(4-bromo-3-methylphenyl)acetamide

N-(4-bromo-3-methylphenyl)acetamide (PubChem CID 738336) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)acetamide
PubChem CID738336
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC NameN-(4-bromo-3-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C9H10BrNO/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeyBYZHUFNLXFFINU-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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Related Compounds

N-(3-Methylphenyl)acetamide
CID 10843
4'-Bromoacetanilide
CID 7683
N-(4-Bromo-1-naphthyl)acetamide
CID 236431
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
2-Chloro-N-(2-methyl-4-bromophenyl)acetamide
CID 2097895
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
2-Butenamide, N-(4-bromophenyl)-3-methyl-
CID 532095
N-(3-Bromophenyl)acetamide
CID 12123
N-(4-Bromophenyl)-2-iodoacetamide
CID 28665
n-(4-Bromophenyl)prop-2-enamide
CID 263609
3'-Bromopropionanilide
CID 806279
N-(4-Bromo-2-methylphenyl)acetamide
CID 222277

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)acetamide (CID 738336) is N-(4-bromo-3-methylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)acetamide is CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)acetamide?
The InChIKey is BYZHUFNLXFFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(4-bromo-3-methylphenyl)acetamide?
N-(4-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-(4-bromo-3-methylphenyl)acetamide is sourced from PubChem (CID 738336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).