2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

C10H8Br2N4O2 — CID 1120125

IUPAC2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ncn[nH]1
InChIInChI=1S/C10H8Br2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeySIKJKTBHMCAIQI-UHFFFAOYSA-N
MW376.01 g/mol
LogP2.35
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 1120125) has the molecular formula C10H8Br2N4O2 and a molecular weight of 376.01 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID1120125
Molecular FormulaC10H8Br2N4O2
Molecular Weight376.01 g/mol
Exact Mass373.90
IUPAC Name2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1Br)Nc1ncn[nH]1
InChIInChI=1S/C10H8Br2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKeySIKJKTBHMCAIQI-UHFFFAOYSA-N
XLogP2.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.01
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
2-(4-bromo-2-chlorophenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 885757
2-(4-bromo-2-tert-butylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1119557
2-(2-bromo-4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 7375770
2-(2-bromo-4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)acetamide
CID 719106
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-(4-bromophenoxy)ethanone
CID 118165760
2-(4-bromophenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 851476
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2953838
2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 682757
2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 703717
2-(4-bromophenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 718673
2-(2-bromo-4-propan-2-ylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 848247

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 1120125) is 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc(Br)cc1Br)Nc1ncn[nH]1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is SIKJKTBHMCAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17).
What are the key properties of 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 376.01 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 1120125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).