2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane

C11H23BrINO — CID 157499049

IUPAC2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane
SMILESCC(C)CCNC(=O)CBr.CC(C)CI
InChIInChI=1S/C7H14BrNO.C4H9I/c1-6(2)3-4-9-7(10)5-8;1-4(2)3-5/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3
InChIKeyBYELIJRIGIQNQW-UHFFFAOYSA-N
MW392.12 g/mol
LogP3.62
Rot. Bonds5

About 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane

2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane (PubChem CID 157499049) has the molecular formula C11H23BrINO and a molecular weight of 392.12 g/mol. Its IUPAC name is 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane.

Molecular Properties

Compound Name2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane
PubChem CID157499049
Molecular FormulaC11H23BrINO
Molecular Weight392.12 g/mol
Exact Mass391.00
IUPAC Name2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane
SMILESCC(C)CCNC(=O)CBr.CC(C)CI
InChIInChI=1S/C7H14BrNO.C4H9I/c1-6(2)3-4-9-7(10)5-8;1-4(2)3-5/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3
InChIKeyBYELIJRIGIQNQW-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
1,3-bis(3-methylbutyl)urea
CID 22563958
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
3-amino-N-(3-methylbutyl)-3-sulfanylidenepropanamide
CID 28942423
2-bromo-N-(iodomethyl)acetamide
CID 89129091
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane?
The IUPAC name of 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane (CID 157499049) is 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane.
What is the SMILES notation for 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane?
The canonical SMILES for 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane is CC(C)CCNC(=O)CBr.CC(C)CI.
What is the InChIKey of 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane?
The InChIKey is BYELIJRIGIQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO.C4H9I/c1-6(2)3-4-9-7(10)5-8;1-4(2)3-5/h6H,3-5H2,1-2H3,(H,9,10);4H,3H2,1-2H3.
What are the key properties of 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane?
2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane has a molecular weight of 392.12 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane is sourced from PubChem (CID 157499049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).