2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide

C10H11BrClNO — CID 81223490

IUPAC2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-6-3-7(2)10(8(12)4-6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyQRQZLWQRDBWOAG-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.29
Rot. Bonds2

About 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 81223490) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID81223490
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CBr)c(Cl)c1
InChIInChI=1S/C10H11BrClNO/c1-6-3-7(2)10(8(12)4-6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyQRQZLWQRDBWOAG-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.29
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

2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
N-(4-bromophenyl)-N'-(2-chloro-4,6-dimethylphenyl)propanediamide
CID 108955337
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
2-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237551
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
N-(2-chloro-4,6-dimethylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178203
3-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466438
4-bromo-N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]benzamide
CID 112998260
N'-(2-chloro-4,6-dimethylphenyl)-N-prop-2-enylpropanediamide
CID 108941280
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 81223490) is 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CBr)c(Cl)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is QRQZLWQRDBWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-6-3-7(2)10(8(12)4-6)13-9(14)5-11/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 276.56 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 81223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).