2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride

C8H17BrClNO — CID 139226401

IUPAC2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride
SMILESCC(C)N(C(=O)CBr)C(C)C.Cl
InChIInChI=1S/C8H16BrNO.ClH/c1-6(2)10(7(3)4)8(11)5-9;/h6-7H,5H2,1-4H3;1H
InChIKeyBXXYQXWPSANWBS-UHFFFAOYSA-N
MW258.59 g/mol
LogP2.45
Rot. Bonds3

About 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride

2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride (PubChem CID 139226401) has the molecular formula C8H17BrClNO and a molecular weight of 258.59 g/mol. Its IUPAC name is 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride
PubChem CID139226401
Molecular FormulaC8H17BrClNO
Molecular Weight258.59 g/mol
Exact Mass257.02
IUPAC Name2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride
SMILESCC(C)N(C(=O)CBr)C(C)C.Cl
InChIInChI=1S/C8H16BrNO.ClH/c1-6(2)10(7(3)4)8(11)5-9;/h6-7H,5H2,1-4H3;1H
InChIKeyBXXYQXWPSANWBS-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.59
LogP ≤ 52.45
H-Bond Donors ≤ 50
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-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride (CID 139226401) is 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride is CC(C)N(C(=O)CBr)C(C)C.Cl.
What is the InChIKey of 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride?
The InChIKey is BXXYQXWPSANWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO.ClH/c1-6(2)10(7(3)4)8(11)5-9;/h6-7H,5H2,1-4H3;1H.
What are the key properties of 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride?
2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride has a molecular weight of 258.59 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-di(propan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 139226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).