2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C21H17BrN4O2 — CID 55795776

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C21H17BrN4O2/c22-21-18-4-2-1-3-16(18)7-10-19(21)28-12-20(27)24-11-15-5-8-17(9-6-15)26-14-23-13-25-26/h1-10,13-14H,11-12H2,(H,24,27)
InChIKeyZXSFJOFRWSERAQ-UHFFFAOYSA-N
MW437.30 g/mol
LogP3.88
Rot. Bonds6

About 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 55795776) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID55795776
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc2ccccc2c1Br)NCc1ccc(-n2cncn2)cc1
InChIInChI=1S/C21H17BrN4O2/c22-21-18-4-2-1-3-16(18)7-10-19(21)28-12-20(27)24-11-15-5-8-17(9-6-15)26-14-23-13-25-26/h1-10,13-14H,11-12H2,(H,24,27)
InChIKeyZXSFJOFRWSERAQ-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(4-bromophenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732144
2-(1-bromonaphthalen-2-yl)oxy-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 37004225
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 7642347
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55732021
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylacetamide
CID 37006365
2-naphthalen-1-yloxy-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300589
7-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]heptanamide
CID 119866354
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]acetamide
CID 56559065
2-(1-bromonaphthalen-2-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39903703
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 55795776) is 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is O=C(COc1ccc2ccccc2c1Br)NCc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is ZXSFJOFRWSERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c22-21-18-4-2-1-3-16(18)7-10-19(21)28-12-20(27)24-11-15-5-8-17(9-6-15)26-14-23-13-25-26/h1-10,13-14H,11-12H2,(H,24,27).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 437.30 g/mol, XLogP of 3.88, 6 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-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 55795776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).