N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide

C18H15F3N2O3 — CID 87780735

IUPACN-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide
SMILESO=CN(c1ccccc1)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)26-15-8-4-7-14(11-15)22-10-9-16(17(22)25)23(12-24)13-5-2-1-3-6-13/h1-8,11-12,16H,9-10H2
InChIKeyMKLKXSMGDMROFB-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.35
Rot. Bonds5

About N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide

N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide (PubChem CID 87780735) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide.

Molecular Properties

Compound NameN-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide
PubChem CID87780735
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide
SMILESO=CN(c1ccccc1)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)26-15-8-4-7-14(11-15)22-10-9-16(17(22)25)23(12-24)13-5-2-1-3-6-13/h1-8,11-12,16H,9-10H2
InChIKeyMKLKXSMGDMROFB-UHFFFAOYSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide?
The IUPAC name of N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide (CID 87780735) is N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide.
What is the SMILES notation for N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide?
The canonical SMILES for N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide is O=CN(c1ccccc1)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O.
What is the InChIKey of N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide?
The InChIKey is MKLKXSMGDMROFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)26-15-8-4-7-14(11-15)22-10-9-16(17(22)25)23(12-24)13-5-2-1-3-6-13/h1-8,11-12,16H,9-10H2.
What are the key properties of N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide?
N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide has a molecular weight of 364.32 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-N-phenylformamide is sourced from PubChem (CID 87780735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).