5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide

C20H18BrNO3 — CID 17357158

IUPAC5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H18BrNO3/c1-24-11-12-25-19-10-9-15(21)13-17(19)20(23)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyGRJPIOOEMBIXIQ-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.88
Rot. Bonds6

About 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide

5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide (PubChem CID 17357158) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
PubChem CID17357158
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H18BrNO3/c1-24-11-12-25-19-10-9-15(21)13-17(19)20(23)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyGRJPIOOEMBIXIQ-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]benzoic acid
CID 54855912
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-2-(2-methoxyethoxy)-N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 46760627
5-bromo-2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17357287
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
5-bromo-2-butoxy-N-(2,3-dimethylphenyl)benzamide
CID 17350009
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide?
The IUPAC name of 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide (CID 17357158) is 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide is COCCOc1ccc(Br)cc1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide?
The InChIKey is GRJPIOOEMBIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-24-11-12-25-19-10-9-15(21)13-17(19)20(23)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-10,13H,11-12H2,1H3,(H,22,23).
What are the key properties of 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide?
5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide has a molecular weight of 400.27 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxyethoxy)-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 17357158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).