N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C15H18F2N2O3 — CID 53181889

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C15H18F2N2O3/c1-22-5-4-19-9-11(6-14(19)20)15(21)18-8-10-2-3-12(16)7-13(10)17/h2-3,7,11H,4-6,8-9H2,1H3,(H,18,21)
InChIKeyHTBFYXWPSIWTLI-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.08
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53181889) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53181889
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(F)cc2F)CC1=O
InChIInChI=1S/C15H18F2N2O3/c1-22-5-4-19-9-11(6-14(19)20)15(21)18-8-10-2-3-12(16)7-13(10)17/h2-3,7,11H,4-6,8-9H2,1H3,(H,18,21)
InChIKeyHTBFYXWPSIWTLI-UHFFFAOYSA-N
XLogP1.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 53181889) is N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccc(F)cc2F)CC1=O.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HTBFYXWPSIWTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-22-5-4-19-9-11(6-14(19)20)15(21)18-8-10-2-3-12(16)7-13(10)17/h2-3,7,11H,4-6,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53181889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).