N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide

C24H29BrN2O4 — CID 158943611

IUPACN-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C(=O)CBr)c(C)c1.CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1
InChIInChI=1S/C12H14BrNO2.C12H15NO2/c1-7-4-10(14-9(3)15)5-8(2)12(7)11(16)6-13;1-7-5-11(13-10(4)15)6-8(2)12(7)9(3)14/h4-5H,6H2,1-3H3,(H,14,15);5-6H,1-4H3,(H,13,15)
InChIKeyJKODYWRECDWIBZ-UHFFFAOYSA-N
MW489.41 g/mol
LogP5.30
Rot. Bonds5

About N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide

N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide (PubChem CID 158943611) has the molecular formula C24H29BrN2O4 and a molecular weight of 489.41 g/mol. Its IUPAC name is N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide
PubChem CID158943611
Molecular FormulaC24H29BrN2O4
Molecular Weight489.41 g/mol
Exact Mass488.13
IUPAC NameN-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(C(=O)CBr)c(C)c1.CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1
InChIInChI=1S/C12H14BrNO2.C12H15NO2/c1-7-4-10(14-9(3)15)5-8(2)12(7)11(16)6-13;1-7-5-11(13-10(4)15)6-8(2)12(7)9(3)14/h4-5H,6H2,1-3H3,(H,14,15);5-6H,1-4H3,(H,13,15)
InChIKeyJKODYWRECDWIBZ-UHFFFAOYSA-N
XLogP5.30
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.41
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-anilino-2,6-dimethylphenyl)ethanone;2-bromo-1-[4-(4-bromoanilino)-2,6-dimethylphenyl]ethanone
CID 159490672
acetonitrile;2-bromo-1-(2,6-dimethyl-4-propan-2-yloxyphenyl)ethanone;1-(2,6-dimethyl-4-propan-2-yloxyphenyl)ethanone
CID 160806718
N-(4-acetyl-3,5-dimethylphenyl)prop-2-enamide
CID 139018868
N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone
CID 158053967
2-bromo-1-(2,6-dimethylphenyl)ethanone
CID 14972767
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
2-bromo-1-(2-fluoro-4-hydroxy-6-methylphenyl)ethanone
CID 171020338
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
1-(4-amino-2-fluoro-6-methylphenyl)-2-bromoethanone
CID 171018038
2-bromo-1-(2-chloro-4-iodo-6-methylphenyl)ethanone
CID 171004392

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide?
The IUPAC name of N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide (CID 158943611) is N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide.
What is the SMILES notation for N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide?
The canonical SMILES for N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide is CC(=O)Nc1cc(C)c(C(=O)CBr)c(C)c1.CC(=O)Nc1cc(C)c(C(C)=O)c(C)c1.
What is the InChIKey of N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide?
The InChIKey is JKODYWRECDWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2.C12H15NO2/c1-7-4-10(14-9(3)15)5-8(2)12(7)11(16)6-13;1-7-5-11(13-10(4)15)6-8(2)12(7)9(3)14/h4-5H,6H2,1-3H3,(H,14,15);5-6H,1-4H3,(H,13,15).
What are the key properties of N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide?
N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide has a molecular weight of 489.41 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide is sourced from PubChem (CID 158943611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).