N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H15F3N2O2 — CID 64975047

IUPACN-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(6-7-17-9-12)11(19)18-20-8-10-4-2-1-3-5-10/h1-5,17H,6-9H2,(H,18,19)
InChIKeyYKTVZBALIZKUNC-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.78
Rot. Bonds4

About N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64975047) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64975047
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)12(6-7-17-9-12)11(19)18-20-8-10-4-2-1-3-5-10/h1-5,17H,6-9H2,(H,18,19)
InChIKeyYKTVZBALIZKUNC-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64975047) is N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NOCc1ccccc1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YKTVZBALIZKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)12(6-7-17-9-12)11(19)18-20-8-10-4-2-1-3-5-10/h1-5,17H,6-9H2,(H,18,19).
What are the key properties of N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64975047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).