N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C19H17F3N2O4 — CID 166074157

IUPACN-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H17F3N2O4/c1-24-15(7-9-17(24)26)18(27)23-14-10-13(6-8-16(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-6,8,10,15,25H,7,9H2,1H3,(H,23,27)
InChIKeyCLRJPVKXYDAANB-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.76
Rot. Bonds4

About N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 166074157) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID166074157
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O
InChIInChI=1S/C19H17F3N2O4/c1-24-15(7-9-17(24)26)18(27)23-14-10-13(6-8-16(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-6,8,10,15,25H,7,9H2,1H3,(H,23,27)
InChIKeyCLRJPVKXYDAANB-UHFFFAOYSA-N
XLogP3.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 166074157) is N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CLRJPVKXYDAANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-24-15(7-9-17(24)26)18(27)23-14-10-13(6-8-16(14)25)28-12-4-2-11(3-5-12)19(20,21)22/h2-6,8,10,15,25H,7,9H2,1H3,(H,23,27).
What are the key properties of N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 166074157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).