4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

C20H20F3N3O3 — CID 6488152

IUPAC4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-9-5-4-6-13(16)11-24-18(28)17-10-15(27)12-26(17)19(29)25-14-7-2-1-3-8-14/h1-9,15,17,27H,10-12H2,(H,24,28)(H,25,29)
InChIKeyMXKVKNWXEAPDRN-UHFFFAOYSA-N
MW407.39 g/mol
LogP2.99
Rot. Bonds4

About 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide

4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 6488152) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID6488152
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)16-9-5-4-6-13(16)11-24-18(28)17-10-15(27)12-26(17)19(29)25-14-7-2-1-3-8-14/h1-9,15,17,27H,10-12H2,(H,24,28)(H,25,29)
InChIKeyMXKVKNWXEAPDRN-UHFFFAOYSA-N
XLogP2.99
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide (CID 6488152) is 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is MXKVKNWXEAPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)16-9-5-4-6-13(16)11-24-18(28)17-10-15(27)12-26(17)19(29)25-14-7-2-1-3-8-14/h1-9,15,17,27H,10-12H2,(H,24,28)(H,25,29).
What are the key properties of 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide?
4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 407.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-N-phenyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).