2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide

C17H17FN4O3 — CID 100830294

IUPAC2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCc1ccco1
InChIInChI=1S/C17H17FN4O3/c18-13-3-5-16(6-4-13)25-12-14-10-22(21-20-14)11-17(23)19-8-7-15-2-1-9-24-15/h1-6,9-10H,7-8,11-12H2,(H,19,23)
InChIKeyXXJGVNUTAMRGGU-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.95
Rot. Bonds8

About 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide

2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide (PubChem CID 100830294) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
PubChem CID100830294
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
SMILESO=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCc1ccco1
InChIInChI=1S/C17H17FN4O3/c18-13-3-5-16(6-4-13)25-12-14-10-22(21-20-14)11-17(23)19-8-7-15-2-1-9-24-15/h1-6,9-10H,7-8,11-12H2,(H,19,23)
InChIKeyXXJGVNUTAMRGGU-UHFFFAOYSA-N
XLogP1.95
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
CID 119055203
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 100830214
N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055236
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883
N-[2-(furan-2-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110733528
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 171133252

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide (CID 100830294) is 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide is O=C(Cn1cc(COc2ccc(F)cc2)nn1)NCCc1ccco1.
What is the InChIKey of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
The InChIKey is XXJGVNUTAMRGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-13-3-5-16(6-4-13)25-12-14-10-22(21-20-14)11-17(23)19-8-7-15-2-1-9-24-15/h1-6,9-10H,7-8,11-12H2,(H,19,23).
What are the key properties of 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide?
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide has a molecular weight of 344.35 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 100830294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).