2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide

C20H15BrN4O2 — CID 112835323

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C20H15BrN4O2/c21-20-15-6-2-1-5-14(15)9-10-18(20)27-13-19(26)23-16-7-3-4-8-17(16)25-12-11-22-24-25/h1-12H,13H2,(H,23,26)
InChIKeyYNSYWMFCHDEJOC-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.20
Rot. Bonds5

About 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide (PubChem CID 112835323) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide
PubChem CID112835323
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)Nc1ccccc1-n1ccnn1
InChIInChI=1S/C20H15BrN4O2/c21-20-15-6-2-1-5-14(15)9-10-18(20)27-13-19(26)23-16-7-3-4-8-17(16)25-12-11-22-24-25/h1-12H,13H2,(H,23,26)
InChIKeyYNSYWMFCHDEJOC-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(2-chlorophenyl)acetamide
CID 1010729
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39903703
2-(3-propan-2-ylphenoxy)-N-[2-(triazol-1-yl)phenyl]acetamide
CID 112835262
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 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-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butylbenzamide
CID 17149335

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide (CID 112835323) is 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide is O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1-n1ccnn1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide?
The InChIKey is YNSYWMFCHDEJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2/c21-20-15-6-2-1-5-14(15)9-10-18(20)27-13-19(26)23-16-7-3-4-8-17(16)25-12-11-22-24-25/h1-12H,13H2,(H,23,26).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide has a molecular weight of 423.27 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[2-(triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 112835323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).