N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide

C14H18F3N3O4 — CID 124554795

IUPACN-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NC(=O)NCc1ccco1
InChIInChI=1S/C14H18F3N3O4/c15-14(16,17)12(22)10-4-1-5-20(10)8-11(21)19-13(23)18-7-9-3-2-6-24-9/h2-3,6,10,12,22H,1,4-5,7-8H2,(H2,18,19,21,23)/t10-,12+/m1/s1
InChIKeyAPOOHSOMDROJJW-PWSUYJOCSA-N
MW349.31 g/mol
LogP0.99
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide

N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide (PubChem CID 124554795) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
PubChem CID124554795
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NC(=O)NCc1ccco1
InChIInChI=1S/C14H18F3N3O4/c15-14(16,17)12(22)10-4-1-5-20(10)8-11(21)19-13(23)18-7-9-3-2-6-24-9/h2-3,6,10,12,22H,1,4-5,7-8H2,(H2,18,19,21,23)/t10-,12+/m1/s1
InChIKeyAPOOHSOMDROJJW-PWSUYJOCSA-N
XLogP0.99
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
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N-(furan-2-ylmethylcarbamoyl)-2-piperazin-1-ylacetamide
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CID 42926300
2-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(furan-2-ylmethyl)acetamide
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2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide (CID 124554795) is N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@@H]1[C@H](O)C(F)(F)F)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
The InChIKey is APOOHSOMDROJJW-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c15-14(16,17)12(22)10-4-1-5-20(10)8-11(21)19-13(23)18-7-9-3-2-6-24-9/h2-3,6,10,12,22H,1,4-5,7-8H2,(H2,18,19,21,23)/t10-,12+/m1/s1.
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide?
N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide has a molecular weight of 349.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124554795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).