N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide

C20H17BrN2O3 — CID 1300372

IUPACN-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C20H17BrN2O3/c1-13(24)22-16-8-4-5-9-17(16)23-19(25)12-26-18-11-10-14-6-2-3-7-15(14)20(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyZWNGEMRQBKXTFU-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.58
Rot. Bonds5

About N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide

N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide (PubChem CID 1300372) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
PubChem CID1300372
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC NameN-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
SMILESCC(=O)Nc1ccccc1NC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C20H17BrN2O3/c1-13(24)22-16-8-4-5-9-17(16)23-19(25)12-26-18-11-10-14-6-2-3-7-15(14)20(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyZWNGEMRQBKXTFU-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 4943630
N-(2-bromophenyl)-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide
CID 3250022
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chloro-4-fluorophenyl)acetamide
CID 7642313
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112835323

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The IUPAC name of N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide (CID 1300372) is N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The canonical SMILES for N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide is CC(=O)Nc1ccccc1NC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide?
The InChIKey is ZWNGEMRQBKXTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-13(24)22-16-8-4-5-9-17(16)23-19(25)12-26-18-11-10-14-6-2-3-7-15(14)20(18)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide?
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide has a molecular weight of 413.27 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide is sourced from PubChem (CID 1300372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).