N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide

C11H19Br2NO2 — CID 107868161

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide
SMILESCCC(CBr)(CBr)NC(=O)CC1CCCO1
InChIInChI=1S/C11H19Br2NO2/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyXNIVWAAZRAQZAV-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.61
Rot. Bonds6

About N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide (PubChem CID 107868161) has the molecular formula C11H19Br2NO2 and a molecular weight of 357.09 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide
PubChem CID107868161
Molecular FormulaC11H19Br2NO2
Molecular Weight357.09 g/mol
Exact Mass354.98
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide
SMILESCCC(CBr)(CBr)NC(=O)CC1CCCO1
InChIInChI=1S/C11H19Br2NO2/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeyXNIVWAAZRAQZAV-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,2-dimethylbutyl)-2-(oxolan-2-yl)acetamide
CID 106143879
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
N-(1-amino-2-methylpropan-2-yl)-2-(oxan-2-yl)acetamide;hydrochloride
CID 119521740
N-(4-hydroxy-2-methylbutan-2-yl)-2-(oxan-2-yl)acetamide
CID 115968720
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(2-amino-2-ethylbutyl)-2-(oxan-2-yl)acetamide
CID 81483834
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
N-[2-(methylamino)acetyl]-2-(oxolan-2-yl)acetamide
CID 56978091
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide (CID 107868161) is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide is CCC(CBr)(CBr)NC(=O)CC1CCCO1.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide?
The InChIKey is XNIVWAAZRAQZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br2NO2/c1-2-11(7-12,8-13)14-10(15)6-9-4-3-5-16-9/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide has a molecular weight of 357.09 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 107868161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).