2,2,4-tribromo-3,3-dimethylbutanamide

C6H10Br3NO — CID 88837831

IUPAC2,2,4-tribromo-3,3-dimethylbutanamide
SMILESCC(C)(CBr)C(Br)(Br)C(N)=O
InChIInChI=1S/C6H10Br3NO/c1-5(2,3-7)6(8,9)4(10)11/h3H2,1-2H3,(H2,10,11)
InChIKeyKOVPILUIGOWKDI-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.38
Rot. Bonds3

About 2,2,4-tribromo-3,3-dimethylbutanamide

2,2,4-tribromo-3,3-dimethylbutanamide (PubChem CID 88837831) has the molecular formula C6H10Br3NO and a molecular weight of 351.86 g/mol. Its IUPAC name is 2,2,4-tribromo-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2,2,4-tribromo-3,3-dimethylbutanamide
PubChem CID88837831
Molecular FormulaC6H10Br3NO
Molecular Weight351.86 g/mol
Exact Mass348.83
IUPAC Name2,2,4-tribromo-3,3-dimethylbutanamide
SMILESCC(C)(CBr)C(Br)(Br)C(N)=O
InChIInChI=1S/C6H10Br3NO/c1-5(2,3-7)6(8,9)4(10)11/h3H2,1-2H3,(H2,10,11)
InChIKeyKOVPILUIGOWKDI-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.38
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

(2R)-3-bromo-2-hydroxy-2-methylpropanamide
CID 88906751
1,1,3-tribromo-1-[chloromethyl-(1,1,3-tribromo-2,2-dimethylpropoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 54044411
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
diiminoazanium;1,1,3-tribromo-2,2-dimethylpropan-1-ol
CID 174625907
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
1,1,3-tribromo-1-[chloro-(1,1,3-tribromo-2,2-dimethylpropoxy)phosphoryl]oxy-2,2-dimethylpropane
CID 19956645
2-methyl-2-methylsulfanylpropanamide
CID 21150551
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2,2-dibromo-2-chloroacetamide
CID 57485950
2-(bromomethyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 90424362
2-(bromomethyl)-3-chloro-2-(chloromethyl)propanamide;3-chloro-2,2-bis(chloromethyl)propanamide
CID 20564690
2-amino-2-ethylbutanamide;ethane
CID 176999268

Frequently Asked Questions

What is the IUPAC name of 2,2,4-tribromo-3,3-dimethylbutanamide?
The IUPAC name of 2,2,4-tribromo-3,3-dimethylbutanamide (CID 88837831) is 2,2,4-tribromo-3,3-dimethylbutanamide.
What is the SMILES notation for 2,2,4-tribromo-3,3-dimethylbutanamide?
The canonical SMILES for 2,2,4-tribromo-3,3-dimethylbutanamide is CC(C)(CBr)C(Br)(Br)C(N)=O.
What is the InChIKey of 2,2,4-tribromo-3,3-dimethylbutanamide?
The InChIKey is KOVPILUIGOWKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br3NO/c1-5(2,3-7)6(8,9)4(10)11/h3H2,1-2H3,(H2,10,11).
What are the key properties of 2,2,4-tribromo-3,3-dimethylbutanamide?
2,2,4-tribromo-3,3-dimethylbutanamide has a molecular weight of 351.86 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-tribromo-3,3-dimethylbutanamide is sourced from PubChem (CID 88837831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).