1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

C16H19F3N2O3 — CID 47043801

IUPAC1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-3-5-13(6-4-11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23)
InChIKeyNFXYFPLRKJWDTF-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.11
Rot. Bonds6

About 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 47043801) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID47043801
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1=O
InChIInChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-3-5-13(6-4-11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23)
InChIKeyNFXYFPLRKJWDTF-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 47043801) is 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1=O.
What is the InChIKey of 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NFXYFPLRKJWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-2-21-10-12(9-14(21)22)15(23)20-8-7-11-3-5-13(6-4-11)24-16(17,18)19/h3-6,12H,2,7-10H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?
1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).