2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide

C8H3Br5N2O3 — CID 139788843

IUPAC2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
SMILESO=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(Br)(Br)Br
InChIInChI=1S/C8H3Br5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16)
InChIKeyQQPZQSQWZZPGRX-UHFFFAOYSA-N
MW574.64 g/mol
LogP4.90
Rot. Bonds2

About 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide

2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide (PubChem CID 139788843) has the molecular formula C8H3Br5N2O3 and a molecular weight of 574.64 g/mol. Its IUPAC name is 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
PubChem CID139788843
Molecular FormulaC8H3Br5N2O3
Molecular Weight574.64 g/mol
Exact Mass569.61
IUPAC Name2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide
SMILESO=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(Br)(Br)Br
InChIInChI=1S/C8H3Br5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16)
InChIKeyQQPZQSQWZZPGRX-UHFFFAOYSA-N
XLogP4.90
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dibromo-6-nitrophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 5194361
N-(2,4-dibromo-6-nitrophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 5105064
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
3-(2,4-dibromo-6-nitroanilino)pyrazine-2,5-dicarboxamide
CID 121003734
(2-bromo-4-chloro-6-nitrophenyl)thiourea
CID 169356003
3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 10019069
2-methoxy-2-methyl-N-(2,4,6-tribromophenyl)propanamide
CID 103028807
N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
CID 11331444
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
3-bromo-4-formamido-5-nitrobenzamide
CID 168654272
N-(2,4-difluoro-6-nitrophenyl)-2,2,2-trifluoroacetamide
CID 81313213
2,4-dibromo-6-nitrobenzenesulfonamide
CID 43363665

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide?
The IUPAC name of 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide (CID 139788843) is 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide.
What is the SMILES notation for 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide?
The canonical SMILES for 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide is O=C(Nc1c(Br)cc(Br)cc1[N+](=O)[O-])C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide?
The InChIKey is QQPZQSQWZZPGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br5N2O3/c9-3-1-4(10)6(5(2-3)15(17)18)14-7(16)8(11,12)13/h1-2H,(H,14,16).
What are the key properties of 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide?
2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide has a molecular weight of 574.64 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N-(2,4-dibromo-6-nitrophenyl)acetamide is sourced from PubChem (CID 139788843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).