2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide

C11H20BrNO2 — CID 114948690

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13(3)8-11(15)6-4-5-7-11/h15H,4-8H2,1-3H3
InChIKeyAPHADNNUJYLVCK-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.92
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide

2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide (PubChem CID 114948690) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide
PubChem CID114948690
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide
SMILESCN(CC1(O)CCCC1)C(=O)C(C)(C)Br
InChIInChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13(3)8-11(15)6-4-5-7-11/h15H,4-8H2,1-3H3
InChIKeyAPHADNNUJYLVCK-UHFFFAOYSA-N
XLogP1.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide (CID 114948690) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide is CN(CC1(O)CCCC1)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is APHADNNUJYLVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-10(2,12)9(14)13(3)8-11(15)6-4-5-7-11/h15H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 278.19 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 114948690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).