3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C17H18BrNO2 — CID 104852569

IUPAC3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-16(10-12)21-7-6-19-17(20)14-8-13(2)9-15(18)11-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyLOTDUUOJQALFPI-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.87
Rot. Bonds5

About 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 104852569) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID104852569
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCc1cccc(OCCNC(=O)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C17H18BrNO2/c1-12-4-3-5-16(10-12)21-7-6-19-17(20)14-8-13(2)9-15(18)11-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)
InChIKeyLOTDUUOJQALFPI-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide 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

4-(bromomethyl)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 102851528
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[2-(3-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 27859219
4-bromo-1-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrole-2-carboxamide
CID 60698250
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 104852569) is 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is Cc1cccc(OCCNC(=O)c2cc(C)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is LOTDUUOJQALFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-12-4-3-5-16(10-12)21-7-6-19-17(20)14-8-13(2)9-15(18)11-14/h3-5,8-11H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 104852569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).