2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide

C9H12Br6N2O2 — CID 10168574

IUPAC2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
SMILESCC(C)(CNC(=O)C(Br)(Br)Br)CNC(=O)C(Br)(Br)Br
InChIInChI=1S/C9H12Br6N2O2/c1-7(2,3-16-5(18)8(10,11)12)4-17-6(19)9(13,14)15/h3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGWOIYILYHFGQGM-UHFFFAOYSA-N
MW659.63 g/mol
LogP3.92
Rot. Bonds4

About 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide

2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide (PubChem CID 10168574) has the molecular formula C9H12Br6N2O2 and a molecular weight of 659.63 g/mol. Its IUPAC name is 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
PubChem CID10168574
Molecular FormulaC9H12Br6N2O2
Molecular Weight659.63 g/mol
Exact Mass653.60
IUPAC Name2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide
SMILESCC(C)(CNC(=O)C(Br)(Br)Br)CNC(=O)C(Br)(Br)Br
InChIInChI=1S/C9H12Br6N2O2/c1-7(2,3-16-5(18)8(10,11)12)4-17-6(19)9(13,14)15/h3-4H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyGWOIYILYHFGQGM-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.63
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide?
The IUPAC name of 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide (CID 10168574) is 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide?
The canonical SMILES for 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide is CC(C)(CNC(=O)C(Br)(Br)Br)CNC(=O)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide?
The InChIKey is GWOIYILYHFGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br6N2O2/c1-7(2,3-16-5(18)8(10,11)12)4-17-6(19)9(13,14)15/h3-4H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide?
2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide has a molecular weight of 659.63 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N-[2,2-dimethyl-3-[(2,2,2-tribromoacetyl)amino]propyl]acetamide is sourced from PubChem (CID 10168574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).