2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide

C20H18BrNO3 — CID 55887630

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1N(C)C(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H18BrNO3/c1-22(18-5-3-4-6-19(18)24-2)20(23)13-25-17-10-8-14-11-16(21)9-7-15(14)12-17/h3-12H,13H2,1-2H3
InChIKeyGULRKLBORQOIGD-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.65
Rot. Bonds5

About 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide

2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 55887630) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
PubChem CID55887630
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1N(C)C(=O)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C20H18BrNO3/c1-22(18-5-3-4-6-19(18)24-2)20(23)13-25-17-10-8-14-11-16(21)9-7-15(14)12-17/h3-12H,13H2,1-2H3
InChIKeyGULRKLBORQOIGD-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide 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-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
2-(6-bromonaphthalen-2-yl)oxy-N-(cyanomethyl)-N-phenylacetamide
CID 43015910
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
2-(4-bromophenoxy)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 60537657
2-(6-bromonaphthalen-2-yl)oxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
CID 86945897
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
CID 59676019
methyl 3-(6-bromonaphthalen-2-yl)oxypropanoate
CID 28879850

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide (CID 55887630) is 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1N(C)C(=O)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is GULRKLBORQOIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-22(18-5-3-4-6-19(18)24-2)20(23)13-25-17-10-8-14-11-16(21)9-7-15(14)12-17/h3-12H,13H2,1-2H3.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 400.27 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 55887630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).