2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide

C21H20BrNO4 — CID 17169791

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C21H20BrNO4/c1-25-11-12-26-17-7-4-6-16(13-17)23-20(24)14-27-19-10-9-15-5-2-3-8-18(15)21(19)22/h2-10,13H,11-12,14H2,1H3,(H,23,24)
InChIKeyOZUILQGQWVVZLK-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.64
Rot. Bonds8

About 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 17169791) has the molecular formula C21H20BrNO4 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
PubChem CID17169791
Molecular FormulaC21H20BrNO4
Molecular Weight430.30 g/mol
Exact Mass429.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1
InChIInChI=1S/C21H20BrNO4/c1-25-11-12-26-17-7-4-6-16(13-17)23-20(24)14-27-19-10-9-15-5-2-3-8-18(15)21(19)22/h2-10,13H,11-12,14H2,1H3,(H,23,24)
InChIKeyOZUILQGQWVVZLK-UHFFFAOYSA-N
XLogP4.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]benzamide
CID 26160442
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355590
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(2-phenoxyethoxy)benzohydrazide
CID 4954463
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340204

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide (CID 17169791) is 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is OZUILQGQWVVZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO4/c1-25-11-12-26-17-7-4-6-16(13-17)23-20(24)14-27-19-10-9-15-5-2-3-8-18(15)21(19)22/h2-10,13H,11-12,14H2,1H3,(H,23,24).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 430.30 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 17169791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).