2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide

C9H7Br2Cl2NO — CID 2804966

IUPAC2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)C(Cl)Cl)c(Br)c1
InChIInChI=1S/C9H7Br2Cl2NO/c1-4-2-5(10)7(6(11)3-4)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15)
InChIKeyXXBFESZHEOOEQG-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.26
Rot. Bonds2

About 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide

2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 2804966) has the molecular formula C9H7Br2Cl2NO and a molecular weight of 375.88 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID2804966
Molecular FormulaC9H7Br2Cl2NO
Molecular Weight375.88 g/mol
Exact Mass372.83
IUPAC Name2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)C(Cl)Cl)c(Br)c1
InChIInChI=1S/C9H7Br2Cl2NO/c1-4-2-5(10)7(6(11)3-4)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15)
InChIKeyXXBFESZHEOOEQG-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 2804966) is 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)C(Cl)Cl)c(Br)c1.
What is the InChIKey of 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is XXBFESZHEOOEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2Cl2NO/c1-4-2-5(10)7(6(11)3-4)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 375.88 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 2804966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).