(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide

C19H23F4N3O — CID 66997608

IUPAC(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1[C@H]1CC[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]21
InChIInChI=1S/C19H23F4N3O/c20-12-7-17(18(24)27)26(9-12)15-6-5-11-8-25(10-13(11)15)16-4-2-1-3-14(16)19(21,22)23/h1-4,11-13,15,17H,5-10H2,(H2,24,27)/t11-,12-,13+,15+,17+/m1/s1
InChIKeyKWPQLACAFOREIW-UWRURVRSSA-N
MW385.41 g/mol
LogP2.82
Rot. Bonds3

About (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 66997608) has the molecular formula C19H23F4N3O and a molecular weight of 385.41 g/mol. Its IUPAC name is (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID66997608
Molecular FormulaC19H23F4N3O
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC Name(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1[C@H]1CC[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]21
InChIInChI=1S/C19H23F4N3O/c20-12-7-17(18(24)27)26(9-12)15-6-5-11-8-25(10-13(11)15)16-4-2-1-3-14(16)19(21,22)23/h1-4,11-13,15,17H,5-10H2,(H2,24,27)/t11-,12-,13+,15+,17+/m1/s1
InChIKeyKWPQLACAFOREIW-UWRURVRSSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide (CID 66997608) is (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1[C@H]1CC[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]21.
What is the InChIKey of (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is KWPQLACAFOREIW-UWRURVRSSA-N. The full InChI is InChI=1S/C19H23F4N3O/c20-12-7-17(18(24)27)26(9-12)15-6-5-11-8-25(10-13(11)15)16-4-2-1-3-14(16)19(21,22)23/h1-4,11-13,15,17H,5-10H2,(H2,24,27)/t11-,12-,13+,15+,17+/m1/s1.
What are the key properties of (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(3aR,4S,6aS)-2-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 66997608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).