2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide

C16H17BrN2O3 — CID 37006365

IUPAC2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrN2O3/c1-19(2)15(21)9-18-14(20)10-22-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyFRLQQTRMNYYFLF-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.19
Rot. Bonds5

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide (PubChem CID 37006365) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
PubChem CID37006365
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrN2O3/c1-19(2)15(21)9-18-14(20)10-22-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-8H,9-10H2,1-2H3,(H,18,20)
InChIKeyFRLQQTRMNYYFLF-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(butylcarbamoyl)acetamide
CID 9353794
N-[benzyl(methyl)carbamothioyl]-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 3382204
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2,2,2-trifluoroacetohydrazide
CID 3955420
[2-(methylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 40627603

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide (CID 37006365) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide is CN(C)C(=O)CNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide?
The InChIKey is FRLQQTRMNYYFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-19(2)15(21)9-18-14(20)10-22-13-8-7-11-5-3-4-6-12(11)16(13)17/h3-8H,9-10H2,1-2H3,(H,18,20).
What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide?
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide has a molecular weight of 365.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 37006365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).