2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide

C22H23BrN2O2 — CID 3872632

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C22H23BrN2O2/c1-3-25(4-2)20-10-8-19(9-11-20)24-22(26)15-27-21-12-6-16-13-18(23)7-5-17(16)14-21/h5-14H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyBQGAUCOLDYYIDE-UHFFFAOYSA-N
MW427.34 g/mol
LogP5.47
Rot. Bonds7

About 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide

2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 3872632) has the molecular formula C22H23BrN2O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
PubChem CID3872632
Molecular FormulaC22H23BrN2O2
Molecular Weight427.34 g/mol
Exact Mass426.09
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1
InChIInChI=1S/C22H23BrN2O2/c1-3-25(4-2)20-10-8-19(9-11-20)24-22(26)15-27-21-12-6-16-13-18(23)7-5-17(16)14-21/h5-14H,3-4,15H2,1-2H3,(H,24,26)
InChIKeyBQGAUCOLDYYIDE-UHFFFAOYSA-N
XLogP5.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
N-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 7786798
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N-ethylacetamide
CID 9231222
2-(1,6-dibromonaphthalen-2-yl)oxy-N-(4-methoxyphenyl)acetamide
CID 3326030
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(6-bromonaphthalen-2-yl)oxy-N-(2-hydroxy-5-methylphenyl)acetamide
CID 60562066

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide (CID 3872632) is 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is BQGAUCOLDYYIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O2/c1-3-25(4-2)20-10-8-19(9-11-20)24-22(26)15-27-21-12-6-16-13-18(23)7-5-17(16)14-21/h5-14H,3-4,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 427.34 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 3872632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).