2,3-dibromo-N-(2,6-diethylphenyl)propanamide

C13H17Br2NO — CID 14820859

IUPAC2,3-dibromo-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(Br)CBr
InChIInChI=1S/C13H17Br2NO/c1-3-9-6-5-7-10(4-2)12(9)16-13(17)11(15)8-14/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMCPEUTXTLORDJ-UHFFFAOYSA-N
MW363.09 g/mol
LogP3.91
Rot. Bonds5

About 2,3-dibromo-N-(2,6-diethylphenyl)propanamide

2,3-dibromo-N-(2,6-diethylphenyl)propanamide (PubChem CID 14820859) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2,3-dibromo-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name2,3-dibromo-N-(2,6-diethylphenyl)propanamide
PubChem CID14820859
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2,3-dibromo-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)C(Br)CBr
InChIInChI=1S/C13H17Br2NO/c1-3-9-6-5-7-10(4-2)12(9)16-13(17)11(15)8-14/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyJMCPEUTXTLORDJ-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-dibromo-N-(2,6-diethylphenyl)propanamide 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-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
(2S)-2-amino-N-(2,6-diethylphenyl)hexanamide
CID 107143829
N-(2,6-diethylphenyl)-2-(4-oxopiperidin-1-yl)propanamide
CID 82342699
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2R)-2-(3-bromophenoxy)-N-(2,6-diethylphenyl)propanamide
CID 1177372
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 2,3-dibromo-N-(2,6-diethylphenyl)propanamide (CID 14820859) is 2,3-dibromo-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 2,3-dibromo-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 2,3-dibromo-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)C(Br)CBr.
What is the InChIKey of 2,3-dibromo-N-(2,6-diethylphenyl)propanamide?
The InChIKey is JMCPEUTXTLORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-3-9-6-5-7-10(4-2)12(9)16-13(17)11(15)8-14/h5-7,11H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dibromo-N-(2,6-diethylphenyl)propanamide?
2,3-dibromo-N-(2,6-diethylphenyl)propanamide has a molecular weight of 363.09 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 14820859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).