3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

C18H20BrNO3 — CID 24517248

IUPAC3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-13-5-4-6-15(11-13)23-10-9-20(2)18(21)14-7-8-17(22-3)16(19)12-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyXQIJHPVTNSEVCY-UHFFFAOYSA-N
MW378.27 g/mol
LogP3.92
Rot. Bonds6

About 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide

3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 24517248) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID24517248
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1Br
InChIInChI=1S/C18H20BrNO3/c1-13-5-4-6-15(11-13)23-10-9-20(2)18(21)14-7-8-17(22-3)16(19)12-14/h4-8,11-12H,9-10H2,1-3H3
InChIKeyXQIJHPVTNSEVCY-UHFFFAOYSA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-methoxy-N-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

3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
CID 119181815
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466435
5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
CID 79987863
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
CID 55344036
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
1-ethyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzotriazole-5-carboxamide
CID 26980273

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 24517248) is 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is COc1ccc(C(=O)N(C)CCOc2cccc(C)c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is XQIJHPVTNSEVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-5-4-6-15(11-13)23-10-9-20(2)18(21)14-7-8-17(22-3)16(19)12-14/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 378.27 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 24517248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).