2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide

C12H16BrNO — CID 82109034

IUPAC2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CBr)c(C)c1
InChIInChI=1S/C12H16BrNO/c1-9-3-4-11(10(2)7-9)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyBXGLVFNCVVBFEJ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.36
Rot. Bonds4

About 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide

2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide (PubChem CID 82109034) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
PubChem CID82109034
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)CBr)c(C)c1
InChIInChI=1S/C12H16BrNO/c1-9-3-4-11(10(2)7-9)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyBXGLVFNCVVBFEJ-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167356
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
N-[2-(2,4-dimethylphenyl)ethyl]-4-oxopentanamide
CID 115176935
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide (CID 82109034) is 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(CCNC(=O)CBr)c(C)c1.
What is the InChIKey of 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is BXGLVFNCVVBFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9-3-4-11(10(2)7-9)5-6-14-12(15)8-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide?
2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 270.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 82109034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).