2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide

C19H19FN4O2 — CID 100831239

IUPAC2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cc(COc2cccc(F)c2)nn1)NCCc1ccccc1
InChIInChI=1S/C19H19FN4O2/c20-16-7-4-8-18(11-16)26-14-17-12-24(23-22-17)13-19(25)21-10-9-15-5-2-1-3-6-15/h1-8,11-12H,9-10,13-14H2,(H,21,25)
InChIKeyVBZBWLFJRXNUPO-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.36
Rot. Bonds8

About 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide

2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 100831239) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID100831239
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1cc(COc2cccc(F)c2)nn1)NCCc1ccccc1
InChIInChI=1S/C19H19FN4O2/c20-16-7-4-8-18(11-16)26-14-17-12-24(23-22-17)13-19(25)21-10-9-15-5-2-1-3-6-15/h1-8,11-12H,9-10,13-14H2,(H,21,25)
InChIKeyVBZBWLFJRXNUPO-UHFFFAOYSA-N
XLogP2.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
CID 119055203
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 100831232
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
(2R)-2-[4-(phenoxymethyl)triazol-1-yl]-N-(2-phenylethyl)propanamide
CID 124938567
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 115458883

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide (CID 100831239) is 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1cc(COc2cccc(F)c2)nn1)NCCc1ccccc1.
What is the InChIKey of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is VBZBWLFJRXNUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-16-7-4-8-18(11-16)26-14-17-12-24(23-22-17)13-19(25)21-10-9-15-5-2-1-3-6-15/h1-8,11-12H,9-10,13-14H2,(H,21,25).
What are the key properties of 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 100831239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).