N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide

C13H19BrN2O — CID 975178

IUPACN-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-16(5-2)9-13(17)15-12-7-6-10(3)8-11(12)14/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyHMMVNEPXUMQXDQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.04
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide

N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide (PubChem CID 975178) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide
PubChem CID975178
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C13H19BrN2O/c1-4-16(5-2)9-13(17)15-12-7-6-10(3)8-11(12)14/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyHMMVNEPXUMQXDQ-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide 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 N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide (CID 975178) is N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide?
The InChIKey is HMMVNEPXUMQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-16(5-2)9-13(17)15-12-7-6-10(3)8-11(12)14/h6-8H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).