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

C17H23FN2O3 — CID 113182519

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C17H23FN2O3/c1-23-10-4-9-20-12-14(11-16(20)21)17(22)19-8-7-13-5-2-3-6-15(13)18/h2-3,5-6,14H,4,7-12H2,1H3,(H,19,22)
InChIKeyIOBFCYIGSSHHQK-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.37
Rot. Bonds8

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

N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182519) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182519
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1CC(C(=O)NCCc2ccccc2F)CC1=O
InChIInChI=1S/C17H23FN2O3/c1-23-10-4-9-20-12-14(11-16(20)21)17(22)19-8-7-13-5-2-3-6-15(13)18/h2-3,5-6,14H,4,7-12H2,1H3,(H,19,22)
InChIKeyIOBFCYIGSSHHQK-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

N-[2-(2-methoxyphenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182521
N,1-bis[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184221
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
N-(2-methoxyethyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182494
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
N-[(2-fluorophenyl)methyl]-1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185414
N-[2-(2-fluorophenyl)ethyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72936643
1-(3-methoxypropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182530
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
1-[2-(2-fluorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184212
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
1-[2-(4-methoxyphenyl)ethyl]-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113184609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 113182519) is N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is COCCCN1CC(C(=O)NCCc2ccccc2F)CC1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IOBFCYIGSSHHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-23-10-4-9-20-12-14(11-16(20)21)17(22)19-8-7-13-5-2-3-6-15(13)18/h2-3,5-6,14H,4,7-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-(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 N-[2-(2-fluorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).