1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C16H21FN2O3 — CID 46363700

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(15(21)18-9-10-22-2)8-7-14(20)19(16)11-12-3-5-13(17)6-4-12/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyDSBWXBZQFMLOFB-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.47
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363700) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363700
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c1-16(15(21)18-9-10-22-2)8-7-14(20)19(16)11-12-3-5-13(17)6-4-12/h3-6H,7-11H2,1-2H3,(H,18,21)
InChIKeyDSBWXBZQFMLOFB-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46363700) is 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is COCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DSBWXBZQFMLOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(15(21)18-9-10-22-2)8-7-14(20)19(16)11-12-3-5-13(17)6-4-12/h3-6H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).