1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide

C23H24F3N3O3 — CID 24978881

IUPAC1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24F3N3O3/c1-2-10-28(14-19(30)27-18-9-8-17(24)21(25)22(18)26)23(32)16-11-20(31)29(13-16)12-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,27,30)
InChIKeyCDDHVWKRTPIKBD-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.33
Rot. Bonds8

About 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide (PubChem CID 24978881) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
PubChem CID24978881
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24F3N3O3/c1-2-10-28(14-19(30)27-18-9-8-17(24)21(25)22(18)26)23(32)16-11-20(31)29(13-16)12-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,27,30)
InChIKeyCDDHVWKRTPIKBD-UHFFFAOYSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide (CID 24978881) is 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
The InChIKey is CDDHVWKRTPIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-2-10-28(14-19(30)27-18-9-8-17(24)21(25)22(18)26)23(32)16-11-20(31)29(13-16)12-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 24978881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).