2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

C16H12BrFN4O2 — CID 39278809

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H12BrFN4O2/c17-11-4-5-15(14(18)6-11)24-8-16(23)21-12-2-1-3-13(7-12)22-9-19-20-10-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyHBSGWNDVLWAYJB-UHFFFAOYSA-N
MW391.20 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 39278809) has the molecular formula C16H12BrFN4O2 and a molecular weight of 391.20 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID39278809
Molecular FormulaC16H12BrFN4O2
Molecular Weight391.20 g/mol
Exact Mass390.01
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C16H12BrFN4O2/c17-11-4-5-15(14(18)6-11)24-8-16(23)21-12-2-1-3-13(7-12)22-9-19-20-10-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyHBSGWNDVLWAYJB-UHFFFAOYSA-N
XLogP3.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 7500246
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
2-(4-bromo-2-fluorophenoxy)-N-(4-imidazol-1-ylphenyl)acetamide
CID 37238606
2-(4-bromo-2-fluorophenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 29315593
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-amino-2,5-difluorophenoxy)-N-(3-bromophenyl)acetamide
CID 63598293
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
N-(3-bromophenyl)-2-[4-butan-2-yl-2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 46366703
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
2-(2-fluoro-4-formylphenoxy)-N-(3-methylphenyl)acetamide
CID 103849996
2-(4-bromo-2-fluorophenoxy)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021804

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 39278809) is 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is O=C(COc1ccc(Br)cc1F)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is HBSGWNDVLWAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O2/c17-11-4-5-15(14(18)6-11)24-8-16(23)21-12-2-1-3-13(7-12)22-9-19-20-10-22/h1-7,9-10H,8H2,(H,21,23).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 391.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 39278809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).