2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide

C12H12ClFN4O3 — CID 104817403

IUPAC2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H12ClFN4O3/c1-2-20-12-16-11(17-18-12)15-10(19)6-21-9-4-3-7(14)5-8(9)13/h3-5H,2,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyBXTYYXWQPKKGNQ-UHFFFAOYSA-N
MW314.70 g/mol
LogP2.01
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 104817403) has the molecular formula C12H12ClFN4O3 and a molecular weight of 314.70 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID104817403
Molecular FormulaC12H12ClFN4O3
Molecular Weight314.70 g/mol
Exact Mass314.06
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCOc1n[nH]c(NC(=O)COc2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H12ClFN4O3/c1-2-20-12-16-11(17-18-12)15-10(19)6-21-9-4-3-7(14)5-8(9)13/h3-5H,2,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyBXTYYXWQPKKGNQ-UHFFFAOYSA-N
XLogP2.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[3-(trifluoromethylsulfanyl)-1H-1,2,4-triazol-5-yl]acetamide
CID 163863213
2-(3-chlorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104818243
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-(2-chloro-4-fluorophenoxy)-N-propylacetamide
CID 60624592
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 9428452
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
2-(2-chloro-4-fluorophenoxy)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 112978988
2-(2-chloro-4-fluorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534213
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 104817403) is 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide is CCOc1n[nH]c(NC(=O)COc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is BXTYYXWQPKKGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O3/c1-2-20-12-16-11(17-18-12)15-10(19)6-21-9-4-3-7(14)5-8(9)13/h3-5H,2,6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 314.70 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 104817403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).