3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide

C21H19BrN2O3 — CID 29464616

IUPAC3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C21H19BrN2O3/c1-24(2)21(26)16-4-3-5-18(11-16)23-20(25)13-27-19-9-7-14-10-17(22)8-6-15(14)12-19/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyXMPIRZFFOVIKOU-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.32
Rot. Bonds5

About 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide

3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide (PubChem CID 29464616) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
PubChem CID29464616
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC Name3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1
InChIInChI=1S/C21H19BrN2O3/c1-24(2)21(26)16-4-3-5-18(11-16)23-20(25)13-27-19-9-7-14-10-17(22)8-6-15(14)12-19/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyXMPIRZFFOVIKOU-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]benzoyl]amino]acetate
CID 55779558
N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(6-bromonaphthalen-2-yl)oxy-N-(3,5-dimethylphenyl)acetamide
CID 7786804
2-(6-bromonaphthalen-2-yl)oxy-N-[4-(diethylamino)phenyl]acetamide
CID 3872632
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231792

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide (CID 29464616) is 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1.
What is the InChIKey of 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is XMPIRZFFOVIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-24(2)21(26)16-4-3-5-18(11-16)23-20(25)13-27-19-9-7-14-10-17(22)8-6-15(14)12-19/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 427.30 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29464616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).