3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C16H21F3N2O2 — CID 71864357

IUPAC3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O2/c1-2-13(10-12-6-4-3-5-7-12)20-14(22)21-9-8-15(23,11-21)16(17,18)19/h3-7,13,23H,2,8-11H2,1H3,(H,20,22)
InChIKeyLVHMADGENMZQLJ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.72
Rot. Bonds4

About 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 71864357) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID71864357
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCCC(Cc1ccccc1)NC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O2/c1-2-13(10-12-6-4-3-5-7-12)20-14(22)21-9-8-15(23,11-21)16(17,18)19/h3-7,13,23H,2,8-11H2,1H3,(H,20,22)
InChIKeyLVHMADGENMZQLJ-UHFFFAOYSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 71864357) is 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CCC(Cc1ccccc1)NC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is LVHMADGENMZQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-13(10-12-6-4-3-5-7-12)20-14(22)21-9-8-15(23,11-21)16(17,18)19/h3-7,13,23H,2,8-11H2,1H3,(H,20,22).
What are the key properties of 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-phenylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71864357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).