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

C10H8BrFN4O2 — CID 30866723

IUPAC2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ncn[nH]1
InChIInChI=1S/C10H8BrFN4O2/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)
InChIKeyKVSAWCLOTVICBF-UHFFFAOYSA-N
MW315.10 g/mol
LogP1.72
Rot. Bonds4

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

2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30866723) has the molecular formula C10H8BrFN4O2 and a molecular weight of 315.10 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30866723
Molecular FormulaC10H8BrFN4O2
Molecular Weight315.10 g/mol
Exact Mass313.98
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1ncn[nH]1
InChIInChI=1S/C10H8BrFN4O2/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)
InChIKeyKVSAWCLOTVICBF-UHFFFAOYSA-N
XLogP1.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 2553894
2-(3-bromophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698938
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 720861
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511647
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30866723) is 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(COc1ccc(Br)cc1F)Nc1ncn[nH]1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is KVSAWCLOTVICBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4O2/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-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 315.10 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30866723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).