N-(3,4-dibromo-2-methylphenyl)acetamide

C9H9Br2NO — CID 131862600

IUPACN-(3,4-dibromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(Br)c1C
InChIInChI=1S/C9H9Br2NO/c1-5-8(12-6(2)13)4-3-7(10)9(5)11/h3-4H,1-2H3,(H,12,13)
InChIKeyRISJIAGFBXOVNA-UHFFFAOYSA-N
MW306.99 g/mol
LogP3.48
Rot. Bonds1

About N-(3,4-dibromo-2-methylphenyl)acetamide

N-(3,4-dibromo-2-methylphenyl)acetamide (PubChem CID 131862600) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is N-(3,4-dibromo-2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dibromo-2-methylphenyl)acetamide
PubChem CID131862600
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC NameN-(3,4-dibromo-2-methylphenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)c(Br)c1C
InChIInChI=1S/C9H9Br2NO/c1-5-8(12-6(2)13)4-3-7(10)9(5)11/h3-4H,1-2H3,(H,12,13)
InChIKeyRISJIAGFBXOVNA-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
CID 4183383
N-(4-bromo-2-fluoro-3-formylphenyl)acetamide
CID 88931176
2-bromo-N-(4-bromo-2,3-dimethylphenyl)acetamide
CID 46779177
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
2-(3-acetamido-2-methylanilino)-N-(4-bromo-3-methylphenyl)acetamide
CID 35418701
N-(7-bromo-1H-indol-4-yl)acetamide
CID 59051707
N-(2-bromo-5-tert-butylphenyl)acetamide
CID 146504103
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
N-(2,3-dimethyl-4-nitrophenyl)acetamide
CID 2931975
N-(2-bromo-5-propan-2-ylphenyl)acetamide
CID 117060423

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dibromo-2-methylphenyl)acetamide?
The IUPAC name of N-(3,4-dibromo-2-methylphenyl)acetamide (CID 131862600) is N-(3,4-dibromo-2-methylphenyl)acetamide.
What is the SMILES notation for N-(3,4-dibromo-2-methylphenyl)acetamide?
The canonical SMILES for N-(3,4-dibromo-2-methylphenyl)acetamide is CC(=O)Nc1ccc(Br)c(Br)c1C.
What is the InChIKey of N-(3,4-dibromo-2-methylphenyl)acetamide?
The InChIKey is RISJIAGFBXOVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO/c1-5-8(12-6(2)13)4-3-7(10)9(5)11/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(3,4-dibromo-2-methylphenyl)acetamide?
N-(3,4-dibromo-2-methylphenyl)acetamide has a molecular weight of 306.99 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dibromo-2-methylphenyl)acetamide is sourced from PubChem (CID 131862600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).