2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide

C11H19Br2NO — CID 3633841

IUPAC2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1(Br)Br)C(C)(C)C
InChIInChI=1S/C11H19Br2NO/c1-7(9(2,3)4)14-8(15)10(5)6-11(10,12)13/h7H,6H2,1-5H3,(H,14,15)
InChIKeyPYXODTLHQDAWLD-UHFFFAOYSA-N
MW341.09 g/mol
LogP3.43
Rot. Bonds2

About 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide

2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 3633841) has the molecular formula C11H19Br2NO and a molecular weight of 341.09 g/mol. Its IUPAC name is 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID3633841
Molecular FormulaC11H19Br2NO
Molecular Weight341.09 g/mol
Exact Mass338.98
IUPAC Name2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C)CC1(Br)Br)C(C)(C)C
InChIInChI=1S/C11H19Br2NO/c1-7(9(2,3)4)14-8(15)10(5)6-11(10,12)13/h7H,6H2,1-5H3,(H,14,15)
InChIKeyPYXODTLHQDAWLD-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.09
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide (CID 3633841) is 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide is CC(NC(=O)C1(C)CC1(Br)Br)C(C)(C)C.
What is the InChIKey of 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is PYXODTLHQDAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br2NO/c1-7(9(2,3)4)14-8(15)10(5)6-11(10,12)13/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide?
2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 341.09 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N-(3,3-dimethylbutan-2-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 3633841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).