2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H17BrN2O2 — CID 82742095

IUPAC2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyUWHPFIUUQCJCJZ-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide

2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82742095) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82742095
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H17BrN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6,15H2,1-2H3
InChIKeyUWHPFIUUQCJCJZ-UHFFFAOYSA-N
XLogP2.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide 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-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82742095) is 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1N(C)C(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is UWHPFIUUQCJCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8-12(5-6-18-8)16(2)13(17)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6,15H2,1-2H3.
What are the key properties of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82742095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).