2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide

C10H11Br2NO — CID 46779177

IUPAC2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
SMILESCc1c(Br)ccc(NC(=O)CBr)c1C
InChIInChI=1S/C10H11Br2NO/c1-6-7(2)9(4-3-8(6)12)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyNWUCMRKGFNXJQK-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.40
Rot. Bonds2

About 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide

2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide (PubChem CID 46779177) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
PubChem CID46779177
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
SMILESCc1c(Br)ccc(NC(=O)CBr)c1C
InChIInChI=1S/C10H11Br2NO/c1-6-7(2)9(4-3-8(6)12)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyNWUCMRKGFNXJQK-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.40
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-(4-bromo-2,3-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 891449
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679
N-(4-bromo-2,3-dimethylphenyl)-3-cyclohexylpropanamide
CID 957346
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166140871
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(4-bromo-2,3-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126215604
N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide
CID 139882137
N-(4-bromo-2,3-dimethylphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1289761

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide (CID 46779177) is 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide is Cc1c(Br)ccc(NC(=O)CBr)c1C.
What is the InChIKey of 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide?
The InChIKey is NWUCMRKGFNXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-6-7(2)9(4-3-8(6)12)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide?
2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide has a molecular weight of 321.01 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 46779177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).