N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C18H14F6N2O3 — CID 86938375

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H14F6N2O3/c19-17(20,21)9-26-7-6-12(16(26)28)25-15(27)14-5-4-13(29-14)10-2-1-3-11(8-10)18(22,23)24/h1-5,8,12H,6-7,9H2,(H,25,27)
InChIKeyRKDQMHPNPVUZPE-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.86
Rot. Bonds4

About N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 86938375) has the molecular formula C18H14F6N2O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID86938375
Molecular FormulaC18H14F6N2O3
Molecular Weight420.31 g/mol
Exact Mass420.09
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H14F6N2O3/c19-17(20,21)9-26-7-6-12(16(26)28)25-15(27)14-5-4-13(29-14)10-2-1-3-11(8-10)18(22,23)24/h1-5,8,12H,6-7,9H2,(H,25,27)
InChIKeyRKDQMHPNPVUZPE-UHFFFAOYSA-N
XLogP3.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 86938375) is N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is RKDQMHPNPVUZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N2O3/c19-17(20,21)9-26-7-6-12(16(26)28)25-15(27)14-5-4-13(29-14)10-2-1-3-11(8-10)18(22,23)24/h1-5,8,12H,6-7,9H2,(H,25,27).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86938375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).