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

C8H16BrNO — CID 10900191

IUPAC2-bromo-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CBr)C(C)C
InChIInChI=1S/C8H16BrNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3
InChIKeyMCZZVJMCQWYUEI-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.03
Rot. Bonds3

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

2-bromo-N,N-di(propan-2-yl)acetamide (PubChem CID 10900191) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 2-bromo-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N,N-di(propan-2-yl)acetamide
PubChem CID10900191
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name2-bromo-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CBr)C(C)C
InChIInChI=1S/C8H16BrNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3
InChIKeyMCZZVJMCQWYUEI-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.03
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?
The IUPAC name of 2-bromo-N,N-di(propan-2-yl)acetamide (CID 10900191) is 2-bromo-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-bromo-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CBr)C(C)C.
What is the InChIKey of 2-bromo-N,N-di(propan-2-yl)acetamide?
The InChIKey is MCZZVJMCQWYUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-6(2)10(7(3)4)8(11)5-9/h6-7H,5H2,1-4H3.
What are the key properties of 2-bromo-N,N-di(propan-2-yl)acetamide?
2-bromo-N,N-di(propan-2-yl)acetamide has a molecular weight of 222.13 g/mol, XLogP of 2.03, 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 is sourced from PubChem (CID 10900191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).