1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

C17H23FN2O3 — CID 6497419

IUPAC1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-23-10-2-8-19-17(22)14-11-16(21)20(12-14)9-7-13-3-5-15(18)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,19,22)
InChIKeyJTUJWOYQCJABGH-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.37
Rot. Bonds8

About 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497419) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6497419
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C17H23FN2O3/c1-23-10-2-8-19-17(22)14-11-16(21)20(12-14)9-7-13-3-5-15(18)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,19,22)
InChIKeyJTUJWOYQCJABGH-UHFFFAOYSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.37
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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Related Compounds

BN-201
CID 66610682
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
1-cyclopentyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 5090685
1-[2-(4-Fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6462581
methyl N-({1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl}carbonyl)glycinate
CID 6463976
N-cyclohexyl-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6497407
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
2-ethyl-N-[2-(4-fluorophenyl)ethyl]butanamide
CID 890242
N-(4-fluorobenzyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3239601
1-(3-ethoxypropyl)-N-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3240267
1-[2-(4-methylphenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 3243674
1-cycloheptyl-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 3244764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 6497419) is 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JTUJWOYQCJABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-23-10-2-8-19-17(22)14-11-16(21)20(12-14)9-7-13-3-5-15(18)6-4-13/h3-6,14H,2,7-12H2,1H3,(H,19,22).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).