1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide

C17H17F5N2O3 — CID 129238775

IUPAC1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H17F5N2O3/c18-16(19)6-12(14(23)25)24(7-16)15(26)10-3-4-11(9-1-2-9)13(5-10)27-8-17(20,21)22/h3-5,9,12H,1-2,6-8H2,(H2,23,25)
InChIKeyUIPODZLNNWLRCS-UHFFFAOYSA-N
MW392.32 g/mol
LogP2.84
Rot. Bonds5

About 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide

1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 129238775) has the molecular formula C17H17F5N2O3 and a molecular weight of 392.32 g/mol. Its IUPAC name is 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID129238775
Molecular FormulaC17H17F5N2O3
Molecular Weight392.32 g/mol
Exact Mass392.12
IUPAC Name1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1
InChIInChI=1S/C17H17F5N2O3/c18-16(19)6-12(14(23)25)24(7-16)15(26)10-3-4-11(9-1-2-9)13(5-10)27-8-17(20,21)22/h3-5,9,12H,1-2,6-8H2,(H2,23,25)
InChIKeyUIPODZLNNWLRCS-UHFFFAOYSA-N
XLogP2.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 129238775) is 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide is NC(=O)C1CC(F)(F)CN1C(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1.
What is the InChIKey of 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is UIPODZLNNWLRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F5N2O3/c18-16(19)6-12(14(23)25)24(7-16)15(26)10-3-4-11(9-1-2-9)13(5-10)27-8-17(20,21)22/h3-5,9,12H,1-2,6-8H2,(H2,23,25).
What are the key properties of 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide?
1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 392.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)benzoyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 129238775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).