(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C16H17F5N2O3 — CID 138466509

IUPAC(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](c1cc(F)c(C(F)(F)F)cc1F)C1COC1)C1C[C@@H](O)CN1
InChIInChI=1S/C16H17F5N2O3/c17-11-3-10(16(19,20)21)12(18)2-9(11)14(7-5-26-6-7)23-15(25)13-1-8(24)4-22-13/h2-3,7-8,13-14,22,24H,1,4-6H2,(H,23,25)/t8-,13?,14-/m1/s1
InChIKeyGTFYLHBIHQAAPS-QPJZVQQTSA-N
MW380.31 g/mol
LogP1.51
Rot. Bonds4

About (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 138466509) has the molecular formula C16H17F5N2O3 and a molecular weight of 380.31 g/mol. Its IUPAC name is (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID138466509
Molecular FormulaC16H17F5N2O3
Molecular Weight380.31 g/mol
Exact Mass380.12
IUPAC Name(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(N[C@@H](c1cc(F)c(C(F)(F)F)cc1F)C1COC1)C1C[C@@H](O)CN1
InChIInChI=1S/C16H17F5N2O3/c17-11-3-10(16(19,20)21)12(18)2-9(11)14(7-5-26-6-7)23-15(25)13-1-8(24)4-22-13/h2-3,7-8,13-14,22,24H,1,4-6H2,(H,23,25)/t8-,13?,14-/m1/s1
InChIKeyGTFYLHBIHQAAPS-QPJZVQQTSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 138466509) is (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(N[C@@H](c1cc(F)c(C(F)(F)F)cc1F)C1COC1)C1C[C@@H](O)CN1.
What is the InChIKey of (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GTFYLHBIHQAAPS-QPJZVQQTSA-N. The full InChI is InChI=1S/C16H17F5N2O3/c17-11-3-10(16(19,20)21)12(18)2-9(11)14(7-5-26-6-7)23-15(25)13-1-8(24)4-22-13/h2-3,7-8,13-14,22,24H,1,4-6H2,(H,23,25)/t8-,13?,14-/m1/s1.
What are the key properties of (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
(4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(R)-[2,5-difluoro-4-(trifluoromethyl)phenyl]-(oxetan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 138466509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).