N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C13H13F5N2O3 — CID 71980704

IUPACN-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1c(F)cc(NC(=O)N2CCC(O)(C(F)(F)F)C2)cc1F
InChIInChI=1S/C13H13F5N2O3/c1-23-10-8(14)4-7(5-9(10)15)19-11(21)20-3-2-12(22,6-20)13(16,17)18/h4-5,22H,2-3,6H2,1H3,(H,19,21)
InChIKeyYUPOFETWRQAXSG-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.50
Rot. Bonds2

About N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 71980704) has the molecular formula C13H13F5N2O3 and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID71980704
Molecular FormulaC13H13F5N2O3
Molecular Weight340.25 g/mol
Exact Mass340.08
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCOc1c(F)cc(NC(=O)N2CCC(O)(C(F)(F)F)C2)cc1F
InChIInChI=1S/C13H13F5N2O3/c1-23-10-8(14)4-7(5-9(10)15)19-11(21)20-3-2-12(22,6-20)13(16,17)18/h4-5,22H,2-3,6H2,1H3,(H,19,21)
InChIKeyYUPOFETWRQAXSG-UHFFFAOYSA-N
XLogP2.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 71980704) is N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is COc1c(F)cc(NC(=O)N2CCC(O)(C(F)(F)F)C2)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is YUPOFETWRQAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O3/c1-23-10-8(14)4-7(5-9(10)15)19-11(21)20-3-2-12(22,6-20)13(16,17)18/h4-5,22H,2-3,6H2,1H3,(H,19,21).
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71980704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).