2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide

C17H17BrN2O3 — CID 17354006

IUPAC2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQZCMRMCVNVURRI-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.13
Rot. Bonds5

About 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide

2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide (PubChem CID 17354006) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
PubChem CID17354006
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQZCMRMCVNVURRI-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide 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

2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949446
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
2-(4-bromo-2-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 1328520
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395
2-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949434
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17353983
N-tert-butyl-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4936441
4-[2-[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 5176598
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 34143404
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17188944

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide (CID 17354006) is 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1C.
What is the InChIKey of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
The InChIKey is QZCMRMCVNVURRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-9-12(18)7-8-15(11)23-10-16(21)20-14-6-4-3-5-13(14)17(22)19-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide?
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 17354006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).