2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

C20H20F2N4O3 — CID 166287273

IUPAC2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)Cn2cc(-c3cc(F)ccc3F)nn2)cc1
InChIInChI=1S/C20H20F2N4O3/c1-2-28-15-4-6-16(7-5-15)29-10-9-23-20(27)13-26-12-19(24-25-26)17-11-14(21)3-8-18(17)22/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,27)
InChIKeyXZHKPKHGWLKYBB-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.82
Rot. Bonds9

About 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide

2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (PubChem CID 166287273) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
PubChem CID166287273
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
SMILESCCOc1ccc(OCCNC(=O)Cn2cc(-c3cc(F)ccc3F)nn2)cc1
InChIInChI=1S/C20H20F2N4O3/c1-2-28-15-4-6-16(7-5-15)29-10-9-23-20(27)13-26-12-19(24-25-26)17-11-14(21)3-8-18(17)22/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,27)
InChIKeyXZHKPKHGWLKYBB-UHFFFAOYSA-N
XLogP2.82
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-bromo-4-methoxyphenyl)triazol-1-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166287260
N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739932
N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
CID 167957587
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 18227991
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598220
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide (CID 166287273) is 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is CCOc1ccc(OCCNC(=O)Cn2cc(-c3cc(F)ccc3F)nn2)cc1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
The InChIKey is XZHKPKHGWLKYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-2-28-15-4-6-16(7-5-15)29-10-9-23-20(27)13-26-12-19(24-25-26)17-11-14(21)3-8-18(17)22/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,27).
What are the key properties of 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide?
2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide has a molecular weight of 402.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)triazol-1-yl]-N-[2-(4-ethoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 166287273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).