N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide

C10H19Br2NO — CID 107867920

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
SMILESCCC(CBr)(CBr)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19Br2NO/c1-5-10(6-11,7-12)13-8(14)9(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyVZTCVOBVOXUYLK-UHFFFAOYSA-N
MW329.08 g/mol
LogP3.09
Rot. Bonds4

About N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide (PubChem CID 107867920) has the molecular formula C10H19Br2NO and a molecular weight of 329.08 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
PubChem CID107867920
Molecular FormulaC10H19Br2NO
Molecular Weight329.08 g/mol
Exact Mass326.98
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide
SMILESCCC(CBr)(CBr)NC(=O)C(C)(C)C
InChIInChI=1S/C10H19Br2NO/c1-5-10(6-11,7-12)13-8(14)9(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyVZTCVOBVOXUYLK-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.08
LogP ≤ 53.09
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

N-[1-bromo-2-(bromomethyl)butan-2-yl]-3,3,3-trifluoropropanamide
CID 107868085
N-[3-(bromomethyl)pentan-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604183
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylbutanamide
CID 107866619
ethane;N-ethyl-2,2-dimethylpropanamide
CID 142466715
2-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylbutanamide
CID 107865579
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-tert-butylthiadiazole-5-carboxamide
CID 107868164
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(4-chlorophenoxy)acetamide
CID 107868236
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2H-triazole-4-carboxamide
CID 107868064
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-fluorobenzamide
CID 107868190

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide (CID 107867920) is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide is CCC(CBr)(CBr)NC(=O)C(C)(C)C.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is VZTCVOBVOXUYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br2NO/c1-5-10(6-11,7-12)13-8(14)9(2,3)4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 329.08 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 107867920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).