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1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide

C16H17F2N5O3 — CID 171141442

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CC(F)CN2C(=O)COc2ccc(F)cc2)nn1
InChIInChI=1S/C16H17F2N5O3/c17-10-1-3-13(4-2-10)26-9-15(24)23-6-11(18)5-12(23)7-22-8-14(16(19)25)20-21-22/h1-4,8,11-12H,5-7,9H2,(H2,19,25)
InChIKeyHZUURFPQMLYGJB-UHFFFAOYSA-N
MW365.34 g/mol
LogP0.53
Rot. Bonds6

About 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide

1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide (PubChem CID 171141442) has the molecular formula C16H17F2N5O3 and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
PubChem CID171141442
Molecular FormulaC16H17F2N5O3
Molecular Weight365.34 g/mol
Exact Mass365.13
IUPAC Name1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
SMILESNC(=O)c1cn(CC2CC(F)CN2C(=O)COc2ccc(F)cc2)nn1
InChIInChI=1S/C16H17F2N5O3/c17-10-1-3-13(4-2-10)26-9-15(24)23-6-11(18)5-12(23)7-22-8-14(16(19)25)20-21-22/h1-4,8,11-12H,5-7,9H2,(H2,19,25)
InChIKeyHZUURFPQMLYGJB-UHFFFAOYSA-N
XLogP0.53
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide (CID 171141442) is 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide is NC(=O)c1cn(CC2CC(F)CN2C(=O)COc2ccc(F)cc2)nn1.
What is the InChIKey of 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
The InChIKey is HZUURFPQMLYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O3/c17-10-1-3-13(4-2-10)26-9-15(24)23-6-11(18)5-12(23)7-22-8-14(16(19)25)20-21-22/h1-4,8,11-12H,5-7,9H2,(H2,19,25).
What are the key properties of 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide?
1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 171141442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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