2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide

C14H19F3N2O3 — CID 146111198

IUPAC2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide
SMILESCN1C[C@@H](CC(=O)NCCc2cc(C(F)(F)F)co2)[C@H](O)C1
InChIInChI=1S/C14H19F3N2O3/c1-19-6-9(12(20)7-19)4-13(21)18-3-2-11-5-10(8-22-11)14(15,16)17/h5,8-9,12,20H,2-4,6-7H2,1H3,(H,18,21)/t9-,12-/m1/s1
InChIKeyXHRUYINPQVOIRD-BXKDBHETSA-N
MW320.31 g/mol
LogP1.27
Rot. Bonds5

About 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide

2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide (PubChem CID 146111198) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide
PubChem CID146111198
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide
SMILESCN1C[C@@H](CC(=O)NCCc2cc(C(F)(F)F)co2)[C@H](O)C1
InChIInChI=1S/C14H19F3N2O3/c1-19-6-9(12(20)7-19)4-13(21)18-3-2-11-5-10(8-22-11)14(15,16)17/h5,8-9,12,20H,2-4,6-7H2,1H3,(H,18,21)/t9-,12-/m1/s1
InChIKeyXHRUYINPQVOIRD-BXKDBHETSA-N
XLogP1.27
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide?
The IUPAC name of 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide (CID 146111198) is 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide?
The canonical SMILES for 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide is CN1C[C@@H](CC(=O)NCCc2cc(C(F)(F)F)co2)[C@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide?
The InChIKey is XHRUYINPQVOIRD-BXKDBHETSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-19-6-9(12(20)7-19)4-13(21)18-3-2-11-5-10(8-22-11)14(15,16)17/h5,8-9,12,20H,2-4,6-7H2,1H3,(H,18,21)/t9-,12-/m1/s1.
What are the key properties of 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide?
2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide has a molecular weight of 320.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N-[2-[4-(trifluoromethyl)furan-2-yl]ethyl]acetamide is sourced from PubChem (CID 146111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).