N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide

C17H15BrN4O3 — CID 9247041

IUPACN-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2n[nH]c(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-5-7-14(8-6-13)25-10-15(23)19-17-20-16(21-22-17)11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyIJNHIZVZNAKFDN-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.26
Rot. Bonds6

About N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide

N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 9247041) has the molecular formula C17H15BrN4O3 and a molecular weight of 403.24 g/mol. Its IUPAC name is N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID9247041
Molecular FormulaC17H15BrN4O3
Molecular Weight403.24 g/mol
Exact Mass402.03
IUPAC NameN-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2n[nH]c(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C17H15BrN4O3/c1-24-13-5-7-14(8-6-13)25-10-15(23)19-17-20-16(21-22-17)11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyIJNHIZVZNAKFDN-UHFFFAOYSA-N
XLogP3.26
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9246390
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
N-[1-(3-bromophenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4001401
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
CID 9245931
N'-[1-(3-bromophenyl)ethenyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 2382990
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 7614464
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9246371

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide (CID 9247041) is N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2n[nH]c(-c3cccc(Br)c3)n2)cc1.
What is the InChIKey of N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is IJNHIZVZNAKFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3/c1-24-13-5-7-14(8-6-13)25-10-15(23)19-17-20-16(21-22-17)11-3-2-4-12(18)9-11/h2-9H,10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 403.24 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 9247041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).