N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C20H18F3N3O3 — CID 2462605

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H18F3N3O3/c1-25(11-16(27)24-15-9-8-14(21)18(22)19(15)23)20(29)12-4-6-13(7-5-12)26-10-2-3-17(26)28/h4-9H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyMLDBSIYURPVUAR-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.94
Rot. Bonds5

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 2462605) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID2462605
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H18F3N3O3/c1-25(11-16(27)24-15-9-8-14(21)18(22)19(15)23)20(29)12-4-6-13(7-5-12)26-10-2-3-17(26)28/h4-9H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyMLDBSIYURPVUAR-UHFFFAOYSA-N
XLogP2.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.94
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 N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 2462605) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is MLDBSIYURPVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c1-25(11-16(27)24-15-9-8-14(21)18(22)19(15)23)20(29)12-4-6-13(7-5-12)26-10-2-3-17(26)28/h4-9H,2-3,10-11H2,1H3,(H,24,27).
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 405.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 2462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).