2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

C22H20BrNO4 — CID 26020105

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20BrNO4/c1-14(16-7-8-18-20(12-16)27-11-10-26-18)24-21(25)13-28-19-9-6-15-4-2-3-5-17(15)22(19)23/h2-9,12,14H,10-11,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyUFYMWNUBXRXYKR-AWEZNQCLSA-N
MW442.31 g/mol
LogP4.63
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (PubChem CID 26020105) has the molecular formula C22H20BrNO4 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
PubChem CID26020105
Molecular FormulaC22H20BrNO4
Molecular Weight442.31 g/mol
Exact Mass441.06
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H20BrNO4/c1-14(16-7-8-18-20(12-16)27-11-10-26-18)24-21(25)13-28-19-9-6-15-4-2-3-5-17(15)22(19)23/h2-9,12,14H,10-11,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyUFYMWNUBXRXYKR-AWEZNQCLSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28579033
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenoxyacetamide
CID 92540665
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 45015101
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(2-methoxyphenoxy)acetamide
CID 7669767
2-(2-chlorophenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 9011762
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 18133884
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-ethoxyacetamide
CID 95358538
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18143447
2-(4-cyano-2-methoxyphenoxy)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 9459191
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 94011986
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 26020085
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-ethylphenoxy)acetamide
CID 43019131

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide (CID 26020105) is 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
The InChIKey is UFYMWNUBXRXYKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20BrNO4/c1-14(16-7-8-18-20(12-16)27-11-10-26-18)24-21(25)13-28-19-9-6-15-4-2-3-5-17(15)22(19)23/h2-9,12,14H,10-11,13H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide has a molecular weight of 442.31 g/mol, XLogP of 4.63, 5 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-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide is sourced from PubChem (CID 26020105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).